6-N,12-N-bis[4-tris(4-propan-2-ylphenyl)silylphenyl]-6-N,12-N-bis[3-[3-tris(4-propan-2-ylphenyl)silylphenyl]phenyl]chrysene-6,12-diamine;6-N-[3-[4-[tris(4-propan-2-ylphenyl)methyl]phenyl]phenyl]-6-N,12-N-bis[4-tris(4-propan-2-ylphenyl)silylphenyl]-12-N-[3-[4-tris(4-propan-2-ylphenyl)silylphenyl]phenyl]chrysene-6,12-diamine

C325H332N4Si7 — CID 157471801

IUPAC6-N,12-N-bis[4-tris(4-propan-2-ylphenyl)silylphenyl]-6-N,12-N-bis[3-[3-tris(4-propan-2-ylphenyl)silylphenyl]phenyl]chrysene-6,12-diamine;6-N-[3-[4-[tris(4-propan-2-ylphenyl)methyl]phenyl]phenyl]-6-N,12-N-bis[4-tris(4-propan-2-ylphenyl)silylphenyl]-12-N-[3-[4-tris(4-propan-2-ylphenyl)silylphenyl]phenyl]chrysene-6,12-diamine
SMILESCC(C)c1ccc(C(c2ccc(-c3cccc(N(c4ccc([Si](c5ccc(C(C)C)cc5)(c5ccc(C(C)C)cc5)c5ccc(C(C)C)cc5)cc4)c4cc5c6ccccc6c(N(c6ccc([Si](c7ccc(C(C)C)cc7)(c7ccc(C(C)C)cc7)c7ccc(C(C)C)cc7)cc6)c6cccc(-c7ccc([Si](c8ccc(C(C)C)cc8)(c8ccc(C(C)C)cc8)c8ccc(C(C)C)cc8)cc7)c6)cc5c5ccccc45)c3)cc2)(c2ccc(C(C)C)cc2)c2ccc(C(C)C)cc2)cc1.CC(C)c1ccc([Si](c2ccc(C(C)C)cc2)(c2ccc(C(C)C)cc2)c2ccc(N(c3cccc(-c4cccc([Si](c5ccc(C(C)C)cc5)(c5ccc(C(C)C)cc5)c5ccc(C(C)C)cc5)c4)c3)c3cc4c5ccccc5c(N(c5ccc([Si](c6ccc(C(C)C)cc6)(c6ccc(C(C)C)cc6)c6ccc(C(C)C)cc6)cc5)c5cccc(-c6cccc([Si](c7ccc(C(C)C)cc7)(c7ccc(C(C)C)cc7)c7ccc(C(C)C)cc7)c6)c5)cc4c4ccccc34)cc2)cc1
InChIInChI=1S/C163H166N2Si3.C162H166N2Si4/c1-107(2)119-39-67-135(68-40-119)163(136-69-41-120(42-70-136)108(3)4,137-71-43-121(44-72-137)109(5)6)138-73-45-131(46-74-138)133-31-29-33-141(103-133)164(139-75-99-153(100-76-139)167(146-85-53-125(54-86-146)113(13)14,147-87-55-126(56-88-147)114(15)16)148-89-57-127(58-90-148)115(17)18)161-105-159-156-36-26-28-38-158(156)162(106-160(159)155-35-25-27-37-157(155)161)165(140-77-101-154(102-78-140)168(149-91-59-128(60-92-149)116(19)20,150-93-61-129(62-94-150)117(21)22)151-95-63-130(64-96-151)118(23)24)142-34-30-32-134(104-142)132-65-97-152(98-66-132)166(143-79-47-122(48-80-143)110(7)8,144-81-49-123(50-82-144)111(9)10)145-83-51-124(52-84-145)112(11)12;1-107(2)119-45-73-139(74-46-119)165(140-75-47-120(48-76-140)108(3)4,141-77-49-121(50-78-141)109(5)6)151-97-69-135(70-98-151)163(137-37-29-33-131(101-137)133-35-31-39-153(103-133)167(145-85-57-125(58-86-145)113(13)14,146-87-59-126(60-88-146)114(15)16)147-89-61-127(62-90-147)115(17)18)161-105-159-156-42-26-28-44-158(156)162(106-160(159)155-41-25-27-43-157(155)161)164(136-71-99-152(100-72-136)166(142-79-51-122(52-80-142)110(7)8,143-81-53-123(54-82-143)111(9)10)144-83-55-124(56-84-144)112(11)12)138-38-30-34-132(102-138)134-36-32-40-154(104-134)168(148-91-63-128(64-92-148)116(19)20,149-93-65-129(66-94-149)117(21)22)150-95-67-130(68-96-150)118(23)24/h2*25-118H,1-24H3
InChIKeyBVCUUJYDHQJLNA-UHFFFAOYSA-N
MW4490.86 g/mol
LogP71.83
Rot. Bonds72

About 6-N,12-N-bis[4-tris(4-propan-2-ylphenyl)silylphenyl]-6-N,12-N-bis[3-[3-tris(4-propan-2-ylphenyl)silylphenyl]phenyl]chrysene-6,12-diamine;6-N-[3-[4-[tris(4-propan-2-ylphenyl)methyl]phenyl]phenyl]-6-N,12-N-bis[4-tris(4-propan-2-ylphenyl)silylphenyl]-12-N-[3-[4-tris(4-propan-2-ylphenyl)silylphenyl]phenyl]chrysene-6,12-diamine

6-N,12-N-bis[4-tris(4-propan-2-ylphenyl)silylphenyl]-6-N,12-N-bis[3-[3-tris(4-propan-2-ylphenyl)silylphenyl]phenyl]chrysene-6,12-diamine;6-N-[3-[4-[tris(4-propan-2-ylphenyl)methyl]phenyl]phenyl]-6-N,12-N-bis[4-tris(4-propan-2-ylphenyl)silylphenyl]-12-N-[3-[4-tris(4-propan-2-ylphenyl)silylphenyl]phenyl]chrysene-6,12-diamine (PubChem CID 157471801) has the molecular formula C325H332N4Si7 and a molecular weight of 4490.86 g/mol. Its IUPAC name is 6-N,12-N-bis[4-tris(4-propan-2-ylphenyl)silylphenyl]-6-N,12-N-bis[3-[3-tris(4-propan-2-ylphenyl)silylphenyl]phenyl]chrysene-6,12-diamine;6-N-[3-[4-[tris(4-propan-2-ylphenyl)methyl]phenyl]phenyl]-6-N,12-N-bis[4-tris(4-propan-2-ylphenyl)silylphenyl]-12-N-[3-[4-tris(4-propan-2-ylphenyl)silylphenyl]phenyl]chrysene-6,12-diamine.

Molecular Properties

Compound Name6-N,12-N-bis[4-tris(4-propan-2-ylphenyl)silylphenyl]-6-N,12-N-bis[3-[3-tris(4-propan-2-ylphenyl)silylphenyl]phenyl]chrysene-6,12-diamine;6-N-[3-[4-[tris(4-propan-2-ylphenyl)methyl]phenyl]phenyl]-6-N,12-N-bis[4-tris(4-propan-2-ylphenyl)silylphenyl]-12-N-[3-[4-tris(4-propan-2-ylphenyl)silylphenyl]phenyl]chrysene-6,12-diamine
PubChem CID157471801
Molecular FormulaC325H332N4Si7
Molecular Weight4490.86 g/mol
Exact Mass4486.45
IUPAC Name6-N,12-N-bis[4-tris(4-propan-2-ylphenyl)silylphenyl]-6-N,12-N-bis[3-[3-tris(4-propan-2-ylphenyl)silylphenyl]phenyl]chrysene-6,12-diamine;6-N-[3-[4-[tris(4-propan-2-ylphenyl)methyl]phenyl]phenyl]-6-N,12-N-bis[4-tris(4-propan-2-ylphenyl)silylphenyl]-12-N-[3-[4-tris(4-propan-2-ylphenyl)silylphenyl]phenyl]chrysene-6,12-diamine
SMILESCC(C)c1ccc(C(c2ccc(-c3cccc(N(c4ccc([Si](c5ccc(C(C)C)cc5)(c5ccc(C(C)C)cc5)c5ccc(C(C)C)cc5)cc4)c4cc5c6ccccc6c(N(c6ccc([Si](c7ccc(C(C)C)cc7)(c7ccc(C(C)C)cc7)c7ccc(C(C)C)cc7)cc6)c6cccc(-c7ccc([Si](c8ccc(C(C)C)cc8)(c8ccc(C(C)C)cc8)c8ccc(C(C)C)cc8)cc7)c6)cc5c5ccccc45)c3)cc2)(c2ccc(C(C)C)cc2)c2ccc(C(C)C)cc2)cc1.CC(C)c1ccc([Si](c2ccc(C(C)C)cc2)(c2ccc(C(C)C)cc2)c2ccc(N(c3cccc(-c4cccc([Si](c5ccc(C(C)C)cc5)(c5ccc(C(C)C)cc5)c5ccc(C(C)C)cc5)c4)c3)c3cc4c5ccccc5c(N(c5ccc([Si](c6ccc(C(C)C)cc6)(c6ccc(C(C)C)cc6)c6ccc(C(C)C)cc6)cc5)c5cccc(-c6cccc([Si](c7ccc(C(C)C)cc7)(c7ccc(C(C)C)cc7)c7ccc(C(C)C)cc7)c6)c5)cc4c4ccccc34)cc2)cc1
InChIInChI=1S/C163H166N2Si3.C162H166N2Si4/c1-107(2)119-39-67-135(68-40-119)163(136-69-41-120(42-70-136)108(3)4,137-71-43-121(44-72-137)109(5)6)138-73-45-131(46-74-138)133-31-29-33-141(103-133)164(139-75-99-153(100-76-139)167(146-85-53-125(54-86-146)113(13)14,147-87-55-126(56-88-147)114(15)16)148-89-57-127(58-90-148)115(17)18)161-105-159-156-36-26-28-38-158(156)162(106-160(159)155-35-25-27-37-157(155)161)165(140-77-101-154(102-78-140)168(149-91-59-128(60-92-149)116(19)20,150-93-61-129(62-94-150)117(21)22)151-95-63-130(64-96-151)118(23)24)142-34-30-32-134(104-142)132-65-97-152(98-66-132)166(143-79-47-122(48-80-143)110(7)8,144-81-49-123(50-82-144)111(9)10)145-83-51-124(52-84-145)112(11)12;1-107(2)119-45-73-139(74-46-119)165(140-75-47-120(48-76-140)108(3)4,141-77-49-121(50-78-141)109(5)6)151-97-69-135(70-98-151)163(137-37-29-33-131(101-137)133-35-31-39-153(103-133)167(145-85-57-125(58-86-145)113(13)14,146-87-59-126(60-88-146)114(15)16)147-89-61-127(62-90-147)115(17)18)161-105-159-156-42-26-28-44-158(156)162(106-160(159)155-41-25-27-43-157(155)161)164(136-71-99-152(100-72-136)166(142-79-51-122(52-80-142)110(7)8,143-81-53-123(54-82-143)111(9)10)144-83-55-124(56-84-144)112(11)12)138-38-30-34-132(102-138)134-36-32-40-154(104-134)168(148-91-63-128(64-92-148)116(19)20,149-93-65-129(66-94-149)117(21)22)150-95-67-130(68-96-150)118(23)24/h2*25-118H,1-24H3
InChIKeyBVCUUJYDHQJLNA-UHFFFAOYSA-N
XLogP71.83
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds72
Heavy Atoms336
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5004490.86
LogP ≤ 571.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-N,12-N-bis[4-tris(4-propan-2-ylphenyl)silylphenyl]-6-N,12-N-bis[3-[3-tris(4-propan-2-ylphenyl)silylphenyl]phenyl]chrysene-6,12-diamine;6-N-[3-[4-[tris(4-propan-2-ylphenyl)methyl]phenyl]phenyl]-6-N,12-N-bis[4-tris(4-propan-2-ylphenyl)silylphenyl]-12-N-[3-[4-tris(4-propan-2-ylphenyl)silylphenyl]phenyl]chrysene-6,12-diamine with MolForge

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Related Compounds

6-N,12-N-bis(4-phenylphenyl)-6-N,12-N-bis(4-triphenylsilylphenyl)chrysene-6,12-diamine
CID 140926347
6-N-(3-tert-butylphenyl)-12-N-(3,5-dimethylphenyl)-6-N,12-N-bis(4-propan-2-ylphenyl)chrysene-6,12-diamine
CID 58599792
6-N,12-N-bis(2,4-dimethylphenyl)-6-N,12-N-bis[2-methyl-4-(4-phenylphenyl)phenyl]chrysene-6,12-diamine;6-N,12-N-bis(4-phenylphenyl)-6-N,12-N-bis(4-propan-2-ylphenyl)chrysene-6,12-diamine;3-tert-butyl-6-N,12-N-bis(4-tert-butylphenyl)-6-N,12-N-bis(4-phenylphenyl)chrysene-6,12-diamine
CID 160624932
N-(3-phenylphenyl)-N-(4-phenylphenyl)chrysen-6-amine
CID 170135249
N-(3-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)chrysen-6-amine
CID 170135464
1-N,6-N-di(dibenzofuran-3-yl)-3,8-di(propan-2-yl)-1-N,6-N-bis[4-[3-tris(4-methylphenyl)silylphenyl]phenyl]pyrene-1,6-diamine
CID 155620114
4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;6-N,6-N,12-N,12-N-tetraphenylchrysene-6,12-diamine
CID 158981468
N-phenyl-N-[4-[3-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenanthren-9-amine
CID 145256486
N-(4-phenylphenyl)-N-[3-(3-phenylphenyl)phenyl]phenanthren-9-amine
CID 156577401
N-[4-[4-(N-naphthalen-1-yl-4-propan-2-ylanilino)phenyl]phenyl]-N-(4-propan-2-ylphenyl)naphthalen-1-amine
CID 66791153
6-N,12-N-bis(4-methylphenyl)-6-N-phenyl-12-N-(4-phenylphenyl)chrysene-6,12-diamine
CID 137470587
6-N,12-N-bis(3-methylphenyl)-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,12-N-bis(4-methylphenyl)-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,12-N-dinaphthalen-2-yl-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,12-N-diphenyl-6-N,12-N-bis(3-phenylphenyl)chrysene-6,12-diamine;6-N,6-N,12-N,12-N-tetraphenylchrysene-6,12-diamine
CID 158234025

Frequently Asked Questions

What is the IUPAC name of 6-N,12-N-bis[4-tris(4-propan-2-ylphenyl)silylphenyl]-6-N,12-N-bis[3-[3-tris(4-propan-2-ylphenyl)silylphenyl]phenyl]chrysene-6,12-diamine;6-N-[3-[4-[tris(4-propan-2-ylphenyl)methyl]phenyl]phenyl]-6-N,12-N-bis[4-tris(4-propan-2-ylphenyl)silylphenyl]-12-N-[3-[4-tris(4-propan-2-ylphenyl)silylphenyl]phenyl]chrysene-6,12-diamine?
The IUPAC name of 6-N,12-N-bis[4-tris(4-propan-2-ylphenyl)silylphenyl]-6-N,12-N-bis[3-[3-tris(4-propan-2-ylphenyl)silylphenyl]phenyl]chrysene-6,12-diamine;6-N-[3-[4-[tris(4-propan-2-ylphenyl)methyl]phenyl]phenyl]-6-N,12-N-bis[4-tris(4-propan-2-ylphenyl)silylphenyl]-12-N-[3-[4-tris(4-propan-2-ylphenyl)silylphenyl]phenyl]chrysene-6,12-diamine (CID 157471801) is 6-N,12-N-bis[4-tris(4-propan-2-ylphenyl)silylphenyl]-6-N,12-N-bis[3-[3-tris(4-propan-2-ylphenyl)silylphenyl]phenyl]chrysene-6,12-diamine;6-N-[3-[4-[tris(4-propan-2-ylphenyl)methyl]phenyl]phenyl]-6-N,12-N-bis[4-tris(4-propan-2-ylphenyl)silylphenyl]-12-N-[3-[4-tris(4-propan-2-ylphenyl)silylphenyl]phenyl]chrysene-6,12-diamine.
What is the SMILES notation for 6-N,12-N-bis[4-tris(4-propan-2-ylphenyl)silylphenyl]-6-N,12-N-bis[3-[3-tris(4-propan-2-ylphenyl)silylphenyl]phenyl]chrysene-6,12-diamine;6-N-[3-[4-[tris(4-propan-2-ylphenyl)methyl]phenyl]phenyl]-6-N,12-N-bis[4-tris(4-propan-2-ylphenyl)silylphenyl]-12-N-[3-[4-tris(4-propan-2-ylphenyl)silylphenyl]phenyl]chrysene-6,12-diamine?
The canonical SMILES for 6-N,12-N-bis[4-tris(4-propan-2-ylphenyl)silylphenyl]-6-N,12-N-bis[3-[3-tris(4-propan-2-ylphenyl)silylphenyl]phenyl]chrysene-6,12-diamine;6-N-[3-[4-[tris(4-propan-2-ylphenyl)methyl]phenyl]phenyl]-6-N,12-N-bis[4-tris(4-propan-2-ylphenyl)silylphenyl]-12-N-[3-[4-tris(4-propan-2-ylphenyl)silylphenyl]phenyl]chrysene-6,12-diamine is CC(C)c1ccc(C(c2ccc(-c3cccc(N(c4ccc([Si](c5ccc(C(C)C)cc5)(c5ccc(C(C)C)cc5)c5ccc(C(C)C)cc5)cc4)c4cc5c6ccccc6c(N(c6ccc([Si](c7ccc(C(C)C)cc7)(c7ccc(C(C)C)cc7)c7ccc(C(C)C)cc7)cc6)c6cccc(-c7ccc([Si](c8ccc(C(C)C)cc8)(c8ccc(C(C)C)cc8)c8ccc(C(C)C)cc8)cc7)c6)cc5c5ccccc45)c3)cc2)(c2ccc(C(C)C)cc2)c2ccc(C(C)C)cc2)cc1.CC(C)c1ccc([Si](c2ccc(C(C)C)cc2)(c2ccc(C(C)C)cc2)c2ccc(N(c3cccc(-c4cccc([Si](c5ccc(C(C)C)cc5)(c5ccc(C(C)C)cc5)c5ccc(C(C)C)cc5)c4)c3)c3cc4c5ccccc5c(N(c5ccc([Si](c6ccc(C(C)C)cc6)(c6ccc(C(C)C)cc6)c6ccc(C(C)C)cc6)cc5)c5cccc(-c6cccc([Si](c7ccc(C(C)C)cc7)(c7ccc(C(C)C)cc7)c7ccc(C(C)C)cc7)c6)c5)cc4c4ccccc34)cc2)cc1.
What is the InChIKey of 6-N,12-N-bis[4-tris(4-propan-2-ylphenyl)silylphenyl]-6-N,12-N-bis[3-[3-tris(4-propan-2-ylphenyl)silylphenyl]phenyl]chrysene-6,12-diamine;6-N-[3-[4-[tris(4-propan-2-ylphenyl)methyl]phenyl]phenyl]-6-N,12-N-bis[4-tris(4-propan-2-ylphenyl)silylphenyl]-12-N-[3-[4-tris(4-propan-2-ylphenyl)silylphenyl]phenyl]chrysene-6,12-diamine?
The InChIKey is BVCUUJYDHQJLNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C163H166N2Si3.C162H166N2Si4/c1-107(2)119-39-67-135(68-40-119)163(136-69-41-120(42-70-136)108(3)4,137-71-43-121(44-72-137)109(5)6)138-73-45-131(46-74-138)133-31-29-33-141(103-133)164(139-75-99-153(100-76-139)167(146-85-53-125(54-86-146)113(13)14,147-87-55-126(56-88-147)114(15)16)148-89-57-127(58-90-148)115(17)18)161-105-159-156-36-26-28-38-158(156)162(106-160(159)155-35-25-27-37-157(155)161)165(140-77-101-154(102-78-140)168(149-91-59-128(60-92-149)116(19)20,150-93-61-129(62-94-150)117(21)22)151-95-63-130(64-96-151)118(23)24)142-34-30-32-134(104-142)132-65-97-152(98-66-132)166(143-79-47-122(48-80-143)110(7)8,144-81-49-123(50-82-144)111(9)10)145-83-51-124(52-84-145)112(11)12;1-107(2)119-45-73-139(74-46-119)165(140-75-47-120(48-76-140)108(3)4,141-77-49-121(50-78-141)109(5)6)151-97-69-135(70-98-151)163(137-37-29-33-131(101-137)133-35-31-39-153(103-133)167(145-85-57-125(58-86-145)113(13)14,146-87-59-126(60-88-146)114(15)16)147-89-61-127(62-90-147)115(17)18)161-105-159-156-42-26-28-44-158(156)162(106-160(159)155-41-25-27-43-157(155)161)164(136-71-99-152(100-72-136)166(142-79-51-122(52-80-142)110(7)8,143-81-53-123(54-82-143)111(9)10)144-83-55-124(56-84-144)112(11)12)138-38-30-34-132(102-138)134-36-32-40-154(104-134)168(148-91-63-128(64-92-148)116(19)20,149-93-65-129(66-94-149)117(21)22)150-95-67-130(68-96-150)118(23)24/h2*25-118H,1-24H3.
What are the key properties of 6-N,12-N-bis[4-tris(4-propan-2-ylphenyl)silylphenyl]-6-N,12-N-bis[3-[3-tris(4-propan-2-ylphenyl)silylphenyl]phenyl]chrysene-6,12-diamine;6-N-[3-[4-[tris(4-propan-2-ylphenyl)methyl]phenyl]phenyl]-6-N,12-N-bis[4-tris(4-propan-2-ylphenyl)silylphenyl]-12-N-[3-[4-tris(4-propan-2-ylphenyl)silylphenyl]phenyl]chrysene-6,12-diamine?
6-N,12-N-bis[4-tris(4-propan-2-ylphenyl)silylphenyl]-6-N,12-N-bis[3-[3-tris(4-propan-2-ylphenyl)silylphenyl]phenyl]chrysene-6,12-diamine;6-N-[3-[4-[tris(4-propan-2-ylphenyl)methyl]phenyl]phenyl]-6-N,12-N-bis[4-tris(4-propan-2-ylphenyl)silylphenyl]-12-N-[3-[4-tris(4-propan-2-ylphenyl)silylphenyl]phenyl]chrysene-6,12-diamine has a molecular weight of 4490.86 g/mol, XLogP of 71.83, 72 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,12-N-bis[4-tris(4-propan-2-ylphenyl)silylphenyl]-6-N,12-N-bis[3-[3-tris(4-propan-2-ylphenyl)silylphenyl]phenyl]chrysene-6,12-diamine;6-N-[3-[4-[tris(4-propan-2-ylphenyl)methyl]phenyl]phenyl]-6-N,12-N-bis[4-tris(4-propan-2-ylphenyl)silylphenyl]-12-N-[3-[4-tris(4-propan-2-ylphenyl)silylphenyl]phenyl]chrysene-6,12-diamine is sourced from PubChem (CID 157471801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).