9-N,9-N,19-N,19-N-tetrakis[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene-9,19-diamine

C172H138N2 — CID 155323973

IUPAC9-N,9-N,19-N,19-N-tetrakis[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene-9,19-diamine
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc(N(c6ccc(-c7ccc8c(c7)C(C)(C)c7cc(-c9ccc%10c(c9)C(C)(C)c9ccccc9-%10)ccc7-8)cc6)c6ccc7c(c6)C(C)(C)c6cc8c(cc6-7)C(C)(C)c6cc(N(c7ccc(-c9ccc%10c(c9)C(C)(C)c9cc(-c%11ccc%12c(c%11)C(C)(C)c%11ccccc%11-%12)ccc9-%10)cc7)c7ccc(-c9ccc%10c(c9)C(C)(C)c9cc(-c%11ccc%12c(c%11)C(C)(C)c%11ccccc%11-%12)ccc9-%10)cc7)c7ccccc7c6-8)cc5)ccc3-4)cc21
InChIInChI=1S/C172H138N2/c1-163(2)141-37-27-23-31-120(141)124-74-53-107(87-145(124)163)111-57-78-132-128-70-49-103(83-149(128)167(9,10)153(132)91-111)99-41-61-115(62-42-99)173(116-63-43-100(44-64-116)104-50-71-129-133-79-58-112(92-154(133)168(11,12)150(129)84-104)108-54-75-125-121-32-24-28-38-142(121)164(3,4)146(125)88-108)119-69-82-136-139-96-159-140(97-158(139)171(17,18)157(136)95-119)162-138-36-22-21-35-137(138)161(98-160(162)172(159,19)20)174(117-65-45-101(46-66-117)105-51-72-130-134-80-59-113(93-155(134)169(13,14)151(130)85-105)109-55-76-126-122-33-25-29-39-143(122)165(5,6)147(126)89-109)118-67-47-102(48-68-118)106-52-73-131-135-81-60-114(94-156(135)170(15,16)152(131)86-106)110-56-77-127-123-34-26-30-40-144(123)166(7,8)148(127)90-110/h21-98H,1-20H3
InChIKeyYSFXNPXKVLFHHC-UHFFFAOYSA-N
MW2233.01 g/mol
LogP46.18
Rot. Bonds14

About 9-N,9-N,19-N,19-N-tetrakis[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene-9,19-diamine

9-N,9-N,19-N,19-N-tetrakis[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene-9,19-diamine (PubChem CID 155323973) has the molecular formula C172H138N2 and a molecular weight of 2233.01 g/mol. Its IUPAC name is 9-N,9-N,19-N,19-N-tetrakis[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene-9,19-diamine.

Molecular Properties

Compound Name9-N,9-N,19-N,19-N-tetrakis[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene-9,19-diamine
PubChem CID155323973
Molecular FormulaC172H138N2
Molecular Weight2233.01 g/mol
Exact Mass2231.09
IUPAC Name9-N,9-N,19-N,19-N-tetrakis[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene-9,19-diamine
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc(N(c6ccc(-c7ccc8c(c7)C(C)(C)c7cc(-c9ccc%10c(c9)C(C)(C)c9ccccc9-%10)ccc7-8)cc6)c6ccc7c(c6)C(C)(C)c6cc8c(cc6-7)C(C)(C)c6cc(N(c7ccc(-c9ccc%10c(c9)C(C)(C)c9cc(-c%11ccc%12c(c%11)C(C)(C)c%11ccccc%11-%12)ccc9-%10)cc7)c7ccc(-c9ccc%10c(c9)C(C)(C)c9cc(-c%11ccc%12c(c%11)C(C)(C)c%11ccccc%11-%12)ccc9-%10)cc7)c7ccccc7c6-8)cc5)ccc3-4)cc21
InChIInChI=1S/C172H138N2/c1-163(2)141-37-27-23-31-120(141)124-74-53-107(87-145(124)163)111-57-78-132-128-70-49-103(83-149(128)167(9,10)153(132)91-111)99-41-61-115(62-42-99)173(116-63-43-100(44-64-116)104-50-71-129-133-79-58-112(92-154(133)168(11,12)150(129)84-104)108-54-75-125-121-32-24-28-38-142(121)164(3,4)146(125)88-108)119-69-82-136-139-96-159-140(97-158(139)171(17,18)157(136)95-119)162-138-36-22-21-35-137(138)161(98-160(162)172(159,19)20)174(117-65-45-101(46-66-117)105-51-72-130-134-80-59-113(93-155(134)169(13,14)151(130)85-105)109-55-76-126-122-33-25-29-39-143(122)165(5,6)147(126)89-109)118-67-47-102(48-68-118)106-52-73-131-135-81-60-114(94-156(135)170(15,16)152(131)86-106)110-56-77-127-123-34-26-30-40-144(123)166(7,8)148(127)90-110/h21-98H,1-20H3
InChIKeyYSFXNPXKVLFHHC-UHFFFAOYSA-N
XLogP46.18
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms174
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002233.01
LogP ≤ 546.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 9-N,9-N,19-N,19-N-tetrakis[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene-9,19-diamine with MolForge

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Related Compounds

N,N-bis[2-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaen-9-amine
CID 155323844
7,7-dimethyl-5-N,5-N,9-N,9-N-tetrakis(4-phenylphenyl)benzo[c]fluorene-5,9-diamine
CID 162712053
19-N-[4-[7-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-9-N,9-N-bis[6-[3-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluoren-2-yl]-19-N-[4-[7-[7-(9-heptyl-9-octylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene-9,19-diamine
CID 155643072
19-N-[4-[7-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-9-N,9-N-bis[6-[3-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluoren-2-yl]-19-N-[4-[7-[7-(9-heptyl-9-octylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene-9,19-diamine;methane;9-N,9-N,19-N,19-N-tetrakis[7-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-2-yl]-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene-9,19-diamine
CID 159968440
N-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6,6,12,12-tetramethylindeno[1,2-b]fluoren-4-amine
CID 138461965
N-(9,9-dimethylfluoren-2-yl)-N-[4-(4-methylphenyl)phenyl]spiro[benzo[c]fluorene-7,9'-fluorene]-5-amine
CID 145144997
N-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]phenanthren-9-amine
CID 134464834
22-ethyl-12,12,22-trimethyl-9-N,9-N,19-N,19-N-tetraphenylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene-9,19-diamine
CID 123586227
7-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine
CID 153018330
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 118146254
9-N,19-N-bis(9,9-dimethylfluoren-2-yl)-9-N,19-N-bis(2,5-dimethylphenyl)-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene-9,19-diamine
CID 171449691
2-N'-(9,9-dimethylfluoren-2-yl)-2-N',5-N,5-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-2',5-diamine
CID 168775359

Frequently Asked Questions

What is the IUPAC name of 9-N,9-N,19-N,19-N-tetrakis[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene-9,19-diamine?
The IUPAC name of 9-N,9-N,19-N,19-N-tetrakis[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene-9,19-diamine (CID 155323973) is 9-N,9-N,19-N,19-N-tetrakis[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene-9,19-diamine.
What is the SMILES notation for 9-N,9-N,19-N,19-N-tetrakis[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene-9,19-diamine?
The canonical SMILES for 9-N,9-N,19-N,19-N-tetrakis[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene-9,19-diamine is CC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc(N(c6ccc(-c7ccc8c(c7)C(C)(C)c7cc(-c9ccc%10c(c9)C(C)(C)c9ccccc9-%10)ccc7-8)cc6)c6ccc7c(c6)C(C)(C)c6cc8c(cc6-7)C(C)(C)c6cc(N(c7ccc(-c9ccc%10c(c9)C(C)(C)c9cc(-c%11ccc%12c(c%11)C(C)(C)c%11ccccc%11-%12)ccc9-%10)cc7)c7ccc(-c9ccc%10c(c9)C(C)(C)c9cc(-c%11ccc%12c(c%11)C(C)(C)c%11ccccc%11-%12)ccc9-%10)cc7)c7ccccc7c6-8)cc5)ccc3-4)cc21.
What is the InChIKey of 9-N,9-N,19-N,19-N-tetrakis[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene-9,19-diamine?
The InChIKey is YSFXNPXKVLFHHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C172H138N2/c1-163(2)141-37-27-23-31-120(141)124-74-53-107(87-145(124)163)111-57-78-132-128-70-49-103(83-149(128)167(9,10)153(132)91-111)99-41-61-115(62-42-99)173(116-63-43-100(44-64-116)104-50-71-129-133-79-58-112(92-154(133)168(11,12)150(129)84-104)108-54-75-125-121-32-24-28-38-142(121)164(3,4)146(125)88-108)119-69-82-136-139-96-159-140(97-158(139)171(17,18)157(136)95-119)162-138-36-22-21-35-137(138)161(98-160(162)172(159,19)20)174(117-65-45-101(46-66-117)105-51-72-130-134-80-59-113(93-155(134)169(13,14)151(130)85-105)109-55-76-126-122-33-25-29-39-143(122)165(5,6)147(126)89-109)118-67-47-102(48-68-118)106-52-73-131-135-81-60-114(94-156(135)170(15,16)152(131)86-106)110-56-77-127-123-34-26-30-40-144(123)166(7,8)148(127)90-110/h21-98H,1-20H3.
What are the key properties of 9-N,9-N,19-N,19-N-tetrakis[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene-9,19-diamine?
9-N,9-N,19-N,19-N-tetrakis[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene-9,19-diamine has a molecular weight of 2233.01 g/mol, XLogP of 46.18, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-N,9-N,19-N,19-N-tetrakis[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene-9,19-diamine is sourced from PubChem (CID 155323973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).