5-N-[4-(3,6-dinaphthalen-1-yl-4a,9a-dihydrocarbazol-9-yl)naphthalen-1-yl]-1-N,3-N-bis[4-(3,6-dinaphthalen-1-ylcarbazol-9-yl)naphthalen-1-yl]-1-N,3-N,5-N-trinaphthalen-1-ylbenzene-1,3,5-triamine

C162H104N6 — CID 89235030

IUPAC5-N-[4-(3,6-dinaphthalen-1-yl-4a,9a-dihydrocarbazol-9-yl)naphthalen-1-yl]-1-N,3-N-bis[4-(3,6-dinaphthalen-1-ylcarbazol-9-yl)naphthalen-1-yl]-1-N,3-N,5-N-trinaphthalen-1-ylbenzene-1,3,5-triamine
SMILESC1=CC2C(C=C1c1cccc3ccccc13)c1cc(-c3cccc4ccccc34)ccc1N2c1ccc(N(c2cc(N(c3cccc4ccccc34)c3ccc(-n4c5ccc(-c6cccc7ccccc67)cc5c5cc(-c6cccc7ccccc67)ccc54)c4ccccc34)cc(N(c3cccc4ccccc34)c3ccc(-n4c5ccc(-c6cccc7ccccc67)cc5c5cc(-c6cccc7ccccc67)ccc54)c4ccccc34)c2)c2cccc3ccccc23)c2ccccc12
InChIInChI=1S/C162H104N6/c1-10-52-121-103(34-1)43-25-67-127(121)112-76-82-157-142(94-112)143-95-113(128-68-26-44-104-35-2-11-53-122(104)128)77-83-158(143)166(157)154-91-88-151(136-61-19-22-64-139(136)154)163(148-73-31-49-109-40-7-16-58-133(109)148)118-100-119(164(149-74-32-50-110-41-8-17-59-134(110)149)152-89-92-155(140-65-23-20-62-137(140)152)167-159-84-78-114(129-69-27-45-105-36-3-12-54-123(105)129)96-144(159)145-97-115(79-85-160(145)167)130-70-28-46-106-37-4-13-55-124(106)130)102-120(101-118)165(150-75-33-51-111-42-9-18-60-135(111)150)153-90-93-156(141-66-24-21-63-138(141)153)168-161-86-80-116(131-71-29-47-107-38-5-14-56-125(107)131)98-146(161)147-99-117(81-87-162(147)168)132-72-30-48-108-39-6-15-57-126(108)132/h1-102,142,157H
InChIKeyYPDZLYVLAHWFPE-UHFFFAOYSA-N
MW2134.66 g/mol
LogP44.72
Rot. Bonds18

About 5-N-[4-(3,6-dinaphthalen-1-yl-4a,9a-dihydrocarbazol-9-yl)naphthalen-1-yl]-1-N,3-N-bis[4-(3,6-dinaphthalen-1-ylcarbazol-9-yl)naphthalen-1-yl]-1-N,3-N,5-N-trinaphthalen-1-ylbenzene-1,3,5-triamine

5-N-[4-(3,6-dinaphthalen-1-yl-4a,9a-dihydrocarbazol-9-yl)naphthalen-1-yl]-1-N,3-N-bis[4-(3,6-dinaphthalen-1-ylcarbazol-9-yl)naphthalen-1-yl]-1-N,3-N,5-N-trinaphthalen-1-ylbenzene-1,3,5-triamine (PubChem CID 89235030) has the molecular formula C162H104N6 and a molecular weight of 2134.66 g/mol. Its IUPAC name is 5-N-[4-(3,6-dinaphthalen-1-yl-4a,9a-dihydrocarbazol-9-yl)naphthalen-1-yl]-1-N,3-N-bis[4-(3,6-dinaphthalen-1-ylcarbazol-9-yl)naphthalen-1-yl]-1-N,3-N,5-N-trinaphthalen-1-ylbenzene-1,3,5-triamine.

Molecular Properties

Compound Name5-N-[4-(3,6-dinaphthalen-1-yl-4a,9a-dihydrocarbazol-9-yl)naphthalen-1-yl]-1-N,3-N-bis[4-(3,6-dinaphthalen-1-ylcarbazol-9-yl)naphthalen-1-yl]-1-N,3-N,5-N-trinaphthalen-1-ylbenzene-1,3,5-triamine
PubChem CID89235030
Molecular FormulaC162H104N6
Molecular Weight2134.66 g/mol
Exact Mass2132.83
IUPAC Name5-N-[4-(3,6-dinaphthalen-1-yl-4a,9a-dihydrocarbazol-9-yl)naphthalen-1-yl]-1-N,3-N-bis[4-(3,6-dinaphthalen-1-ylcarbazol-9-yl)naphthalen-1-yl]-1-N,3-N,5-N-trinaphthalen-1-ylbenzene-1,3,5-triamine
SMILESC1=CC2C(C=C1c1cccc3ccccc13)c1cc(-c3cccc4ccccc34)ccc1N2c1ccc(N(c2cc(N(c3cccc4ccccc34)c3ccc(-n4c5ccc(-c6cccc7ccccc67)cc5c5cc(-c6cccc7ccccc67)ccc54)c4ccccc34)cc(N(c3cccc4ccccc34)c3ccc(-n4c5ccc(-c6cccc7ccccc67)cc5c5cc(-c6cccc7ccccc67)ccc54)c4ccccc34)c2)c2cccc3ccccc23)c2ccccc12
InChIInChI=1S/C162H104N6/c1-10-52-121-103(34-1)43-25-67-127(121)112-76-82-157-142(94-112)143-95-113(128-68-26-44-104-35-2-11-53-122(104)128)77-83-158(143)166(157)154-91-88-151(136-61-19-22-64-139(136)154)163(148-73-31-49-109-40-7-16-58-133(109)148)118-100-119(164(149-74-32-50-110-41-8-17-59-134(110)149)152-89-92-155(140-65-23-20-62-137(140)152)167-159-84-78-114(129-69-27-45-105-36-3-12-54-123(105)129)96-144(159)145-97-115(79-85-160(145)167)130-70-28-46-106-37-4-13-55-124(106)130)102-120(101-118)165(150-75-33-51-111-42-9-18-60-135(111)150)153-90-93-156(141-66-24-21-63-138(141)153)168-161-86-80-116(131-71-29-47-107-38-5-14-56-125(107)131)98-146(161)147-99-117(81-87-162(147)168)132-72-30-48-108-39-6-15-57-126(108)132/h1-102,142,157H
InChIKeyYPDZLYVLAHWFPE-UHFFFAOYSA-N
XLogP44.72
TPSA22.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms168
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002134.66
LogP ≤ 544.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-N-[4-(3,6-dinaphthalen-1-yl-4a,9a-dihydrocarbazol-9-yl)naphthalen-1-yl]-1-N,3-N-bis[4-(3,6-dinaphthalen-1-ylcarbazol-9-yl)naphthalen-1-yl]-1-N,3-N,5-N-trinaphthalen-1-ylbenzene-1,3,5-triamine with MolForge

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Related Compounds

5-N-[4-(3,6-dinaphthalen-1-yl-4a,9a-dihydrocarbazol-9-yl)phenyl]-1-N,3-N-bis[4-(3,6-dinaphthalen-1-ylcarbazol-9-yl)phenyl]-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine
CID 89235086
1-N,3-N-dinaphthalen-1-yl-3-N-[9-phenyl-6-(4-phenylphenyl)-4b,8a-dihydrocarbazol-3-yl]-1-N-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]benzene-1,3-diamine
CID 89030421
5-N-(6,9-diphenyl-4b,8a-dihydrocarbazol-3-yl)-1-N,3-N-bis(6,9-diphenylcarbazol-3-yl)-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine
CID 89235026
1-N,3-N,5-N-triphenyl-5-N-[9-phenyl-6-(4-phenylphenyl)-4b,8a-dihydrocarbazol-3-yl]-1-N,3-N-bis[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]benzene-1,3,5-triamine
CID 89234982
9-phenyl-3-[9-phenyl-6-(9-phenylcarbazol-3-yl)-4a,9a-dihydrocarbazol-3-yl]carbazole
CID 121475725
1-N,3-N,5-N-trinaphthalen-1-yl-1-N,3-N,5-N-tris[9-naphthalen-1-yl-6-(4-phenylphenyl)carbazol-3-yl]benzene-1,3,5-triamine;1-N,3-N,5-N-tris(6-naphthalen-1-yl-9-phenylcarbazol-3-yl)-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine
CID 158550618
1-N,3-N,5-N-tris[4-(3,6-diphenylcarbazol-9-yl)naphthalen-1-yl]-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine
CID 59815961
4-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylcarbazol-3-yl]-6-phenyl-4a,9a-dihydrocarbazol-9-yl]-N,N-diphenylaniline
CID 88867268
N,9-diphenyl-N-[4-[4-(N-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine;N-[3-methyl-4-[2-methyl-4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-naphthalen-1-yl-N-[4-[4-[naphthalen-1-yl-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)amino]phenyl]phenyl]-9-phenylcarbazol-3-amine;N-[4-[4-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
CID 165019490
N-naphthalen-2-yl-N-[4-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]naphthalen-1-yl]-9-phenyl-4b,8a-dihydrocarbazol-3-amine
CID 70918178
4-(2-carbazol-9-ylphenyl)-N-[2-(4-naphthalen-1-ylphenyl)phenyl]-N,2-diphenylaniline
CID 174310339
4-[9-[4-(4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)anilino)phenyl]carbazol-3-yl]-N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 130397476

Frequently Asked Questions

What is the IUPAC name of 5-N-[4-(3,6-dinaphthalen-1-yl-4a,9a-dihydrocarbazol-9-yl)naphthalen-1-yl]-1-N,3-N-bis[4-(3,6-dinaphthalen-1-ylcarbazol-9-yl)naphthalen-1-yl]-1-N,3-N,5-N-trinaphthalen-1-ylbenzene-1,3,5-triamine?
The IUPAC name of 5-N-[4-(3,6-dinaphthalen-1-yl-4a,9a-dihydrocarbazol-9-yl)naphthalen-1-yl]-1-N,3-N-bis[4-(3,6-dinaphthalen-1-ylcarbazol-9-yl)naphthalen-1-yl]-1-N,3-N,5-N-trinaphthalen-1-ylbenzene-1,3,5-triamine (CID 89235030) is 5-N-[4-(3,6-dinaphthalen-1-yl-4a,9a-dihydrocarbazol-9-yl)naphthalen-1-yl]-1-N,3-N-bis[4-(3,6-dinaphthalen-1-ylcarbazol-9-yl)naphthalen-1-yl]-1-N,3-N,5-N-trinaphthalen-1-ylbenzene-1,3,5-triamine.
What is the SMILES notation for 5-N-[4-(3,6-dinaphthalen-1-yl-4a,9a-dihydrocarbazol-9-yl)naphthalen-1-yl]-1-N,3-N-bis[4-(3,6-dinaphthalen-1-ylcarbazol-9-yl)naphthalen-1-yl]-1-N,3-N,5-N-trinaphthalen-1-ylbenzene-1,3,5-triamine?
The canonical SMILES for 5-N-[4-(3,6-dinaphthalen-1-yl-4a,9a-dihydrocarbazol-9-yl)naphthalen-1-yl]-1-N,3-N-bis[4-(3,6-dinaphthalen-1-ylcarbazol-9-yl)naphthalen-1-yl]-1-N,3-N,5-N-trinaphthalen-1-ylbenzene-1,3,5-triamine is C1=CC2C(C=C1c1cccc3ccccc13)c1cc(-c3cccc4ccccc34)ccc1N2c1ccc(N(c2cc(N(c3cccc4ccccc34)c3ccc(-n4c5ccc(-c6cccc7ccccc67)cc5c5cc(-c6cccc7ccccc67)ccc54)c4ccccc34)cc(N(c3cccc4ccccc34)c3ccc(-n4c5ccc(-c6cccc7ccccc67)cc5c5cc(-c6cccc7ccccc67)ccc54)c4ccccc34)c2)c2cccc3ccccc23)c2ccccc12.
What is the InChIKey of 5-N-[4-(3,6-dinaphthalen-1-yl-4a,9a-dihydrocarbazol-9-yl)naphthalen-1-yl]-1-N,3-N-bis[4-(3,6-dinaphthalen-1-ylcarbazol-9-yl)naphthalen-1-yl]-1-N,3-N,5-N-trinaphthalen-1-ylbenzene-1,3,5-triamine?
The InChIKey is YPDZLYVLAHWFPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C162H104N6/c1-10-52-121-103(34-1)43-25-67-127(121)112-76-82-157-142(94-112)143-95-113(128-68-26-44-104-35-2-11-53-122(104)128)77-83-158(143)166(157)154-91-88-151(136-61-19-22-64-139(136)154)163(148-73-31-49-109-40-7-16-58-133(109)148)118-100-119(164(149-74-32-50-110-41-8-17-59-134(110)149)152-89-92-155(140-65-23-20-62-137(140)152)167-159-84-78-114(129-69-27-45-105-36-3-12-54-123(105)129)96-144(159)145-97-115(79-85-160(145)167)130-70-28-46-106-37-4-13-55-124(106)130)102-120(101-118)165(150-75-33-51-111-42-9-18-60-135(111)150)153-90-93-156(141-66-24-21-63-138(141)153)168-161-86-80-116(131-71-29-47-107-38-5-14-56-125(107)131)98-146(161)147-99-117(81-87-162(147)168)132-72-30-48-108-39-6-15-57-126(108)132/h1-102,142,157H.
What are the key properties of 5-N-[4-(3,6-dinaphthalen-1-yl-4a,9a-dihydrocarbazol-9-yl)naphthalen-1-yl]-1-N,3-N-bis[4-(3,6-dinaphthalen-1-ylcarbazol-9-yl)naphthalen-1-yl]-1-N,3-N,5-N-trinaphthalen-1-ylbenzene-1,3,5-triamine?
5-N-[4-(3,6-dinaphthalen-1-yl-4a,9a-dihydrocarbazol-9-yl)naphthalen-1-yl]-1-N,3-N-bis[4-(3,6-dinaphthalen-1-ylcarbazol-9-yl)naphthalen-1-yl]-1-N,3-N,5-N-trinaphthalen-1-ylbenzene-1,3,5-triamine has a molecular weight of 2134.66 g/mol, XLogP of 44.72, 18 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[4-(3,6-dinaphthalen-1-yl-4a,9a-dihydrocarbazol-9-yl)naphthalen-1-yl]-1-N,3-N-bis[4-(3,6-dinaphthalen-1-ylcarbazol-9-yl)naphthalen-1-yl]-1-N,3-N,5-N-trinaphthalen-1-ylbenzene-1,3,5-triamine is sourced from PubChem (CID 89235030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).