9-[9,14-bis[3,6-bis(4-methoxy-N-(4-methoxyphenyl)anilino)carbazol-9-yl]-3,8,13-trithiatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,14-hexaen-4-yl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine

C132H105N9O12S3 — CID 132531146

IUPAC9-[9,14-bis[3,6-bis(4-methoxy-N-(4-methoxyphenyl)anilino)carbazol-9-yl]-3,8,13-trithiatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,14-hexaen-4-yl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine
SMILESCOc1ccc(N(c2ccc(OC)cc2)c2ccc3c(c2)c2cc(N(c4ccc(OC)cc4)c4ccc(OC)cc4)ccc2n3-c2cc3c(s2)c2cc(-n4c5ccc(N(c6ccc(OC)cc6)c6ccc(OC)cc6)cc5c5cc(N(c6ccc(OC)cc6)c6ccc(OC)cc6)ccc54)sc2c2cc(-n4c5ccc(N(c6ccc(OC)cc6)c6ccc(OC)cc6)cc5c5cc(N(c6ccc(OC)cc6)c6ccc(OC)cc6)ccc54)sc32)cc1
InChIInChI=1S/C132H105N9O12S3/c1-142-100-43-13-82(14-44-100)133(83-15-45-101(143-2)46-16-83)94-37-67-121-112(73-94)113-74-95(134(84-17-47-102(144-3)48-18-84)85-19-49-103(145-4)50-20-85)38-68-122(113)139(121)127-79-118-130(154-127)119-80-128(140-123-69-39-96(135(86-21-51-104(146-5)52-22-86)87-23-53-105(147-6)54-24-87)75-114(123)115-76-97(40-70-124(115)140)136(88-25-55-106(148-7)56-26-88)89-27-57-107(149-8)58-28-89)156-132(119)120-81-129(155-131(118)120)141-125-71-41-98(137(90-29-59-108(150-9)60-30-90)91-31-61-109(151-10)62-32-91)77-116(125)117-78-99(42-72-126(117)141)138(92-33-63-110(152-11)64-34-92)93-35-65-111(153-12)66-36-93/h13-81H,1-12H3
InChIKeyMOKPYLZNUZAPMV-UHFFFAOYSA-N
MW2105.54 g/mol
LogP35.54
Rot. Bonds33

About 9-[9,14-bis[3,6-bis(4-methoxy-N-(4-methoxyphenyl)anilino)carbazol-9-yl]-3,8,13-trithiatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,14-hexaen-4-yl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine

9-[9,14-bis[3,6-bis(4-methoxy-N-(4-methoxyphenyl)anilino)carbazol-9-yl]-3,8,13-trithiatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,14-hexaen-4-yl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine (PubChem CID 132531146) has the molecular formula C132H105N9O12S3 and a molecular weight of 2105.54 g/mol. Its IUPAC name is 9-[9,14-bis[3,6-bis(4-methoxy-N-(4-methoxyphenyl)anilino)carbazol-9-yl]-3,8,13-trithiatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,14-hexaen-4-yl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine.

Molecular Properties

Compound Name9-[9,14-bis[3,6-bis(4-methoxy-N-(4-methoxyphenyl)anilino)carbazol-9-yl]-3,8,13-trithiatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,14-hexaen-4-yl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine
PubChem CID132531146
Molecular FormulaC132H105N9O12S3
Molecular Weight2105.54 g/mol
Exact Mass2103.70
IUPAC Name9-[9,14-bis[3,6-bis(4-methoxy-N-(4-methoxyphenyl)anilino)carbazol-9-yl]-3,8,13-trithiatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,14-hexaen-4-yl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine
SMILESCOc1ccc(N(c2ccc(OC)cc2)c2ccc3c(c2)c2cc(N(c4ccc(OC)cc4)c4ccc(OC)cc4)ccc2n3-c2cc3c(s2)c2cc(-n4c5ccc(N(c6ccc(OC)cc6)c6ccc(OC)cc6)cc5c5cc(N(c6ccc(OC)cc6)c6ccc(OC)cc6)ccc54)sc2c2cc(-n4c5ccc(N(c6ccc(OC)cc6)c6ccc(OC)cc6)cc5c5cc(N(c6ccc(OC)cc6)c6ccc(OC)cc6)ccc54)sc32)cc1
InChIInChI=1S/C132H105N9O12S3/c1-142-100-43-13-82(14-44-100)133(83-15-45-101(143-2)46-16-83)94-37-67-121-112(73-94)113-74-95(134(84-17-47-102(144-3)48-18-84)85-19-49-103(145-4)50-20-85)38-68-122(113)139(121)127-79-118-130(154-127)119-80-128(140-123-69-39-96(135(86-21-51-104(146-5)52-22-86)87-23-53-105(147-6)54-24-87)75-114(123)115-76-97(40-70-124(115)140)136(88-25-55-106(148-7)56-26-88)89-27-57-107(149-8)58-28-89)156-132(119)120-81-129(155-131(118)120)141-125-71-41-98(137(90-29-59-108(150-9)60-30-90)91-31-61-109(151-10)62-32-91)77-116(125)117-78-99(42-72-126(117)141)138(92-33-63-110(152-11)64-34-92)93-35-65-111(153-12)66-36-93/h13-81H,1-12H3
InChIKeyMOKPYLZNUZAPMV-UHFFFAOYSA-N
XLogP35.54
TPSA144.99 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds33
Heavy Atoms156
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002105.54
LogP ≤ 535.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Analyze 9-[9,14-bis[3,6-bis(4-methoxy-N-(4-methoxyphenyl)anilino)carbazol-9-yl]-3,8,13-trithiatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,14-hexaen-4-yl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine with MolForge

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Related Compounds

9-[[3,5-bis[[3,6-bis(4-methoxy-N-(4-methoxyphenyl)anilino)carbazol-9-yl]methyl]phenyl]methyl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine
CID 122546741
N-(4-methoxyphenyl)-N-[4-[4-(4-methoxy-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]-9-phenylcarbazol-3-amine
CID 58651978
1-N,1-N,4-N,4-N-tetrakis(4-methoxyphenyl)benzene-1,4-diamine
CID 18996647
7-tert-butyl-4-N,4-N,10-N,10-N-tetrakis(4-methoxyphenyl)-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-4,10-diamine
CID 90966685
9-[4-[6-[4-[3,6-bis(4-methoxy-N-(4-methoxyphenyl)anilino)carbazol-9-yl]phenyl]-9H-carbazol-3-yl]phenyl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine
CID 171729860
3-N,6-N-bis(4-ethenylphenyl)-3-N,6-N-bis(4-methoxyphenyl)-9-methylcarbazole-3,6-diamine
CID 155159230
[4-[[6-(4-methoxy-N-(9-phenylcarbazol-3-yl)anilino)-9-phenylcarbazol-3-yl]-(9-phenylcarbazol-3-yl)amino]phenyl]methanol
CID 88866500
N-(4-methoxyphenyl)-9-phenyl-N-(9-phenylcarbazol-3-yl)-6-triphenylgermylcarbazol-3-amine
CID 140704741
4-N,4-N-bis(4-methoxyphenyl)benzene-1,4-diamine;ethane
CID 145450258
4-[3-(N-[9-(4-methoxyphenyl)carbazol-3-yl]-4-phenylanilino)carbazol-9-yl]benzaldehyde
CID 126585558
6-N,16-N-bis(4-methoxyphenyl)-6-N,16-N-diphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,16-diamine
CID 166032295
1-N,4-N-bis[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine
CID 132507926

Frequently Asked Questions

What is the IUPAC name of 9-[9,14-bis[3,6-bis(4-methoxy-N-(4-methoxyphenyl)anilino)carbazol-9-yl]-3,8,13-trithiatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,14-hexaen-4-yl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine?
The IUPAC name of 9-[9,14-bis[3,6-bis(4-methoxy-N-(4-methoxyphenyl)anilino)carbazol-9-yl]-3,8,13-trithiatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,14-hexaen-4-yl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine (CID 132531146) is 9-[9,14-bis[3,6-bis(4-methoxy-N-(4-methoxyphenyl)anilino)carbazol-9-yl]-3,8,13-trithiatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,14-hexaen-4-yl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine.
What is the SMILES notation for 9-[9,14-bis[3,6-bis(4-methoxy-N-(4-methoxyphenyl)anilino)carbazol-9-yl]-3,8,13-trithiatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,14-hexaen-4-yl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine?
The canonical SMILES for 9-[9,14-bis[3,6-bis(4-methoxy-N-(4-methoxyphenyl)anilino)carbazol-9-yl]-3,8,13-trithiatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,14-hexaen-4-yl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine is COc1ccc(N(c2ccc(OC)cc2)c2ccc3c(c2)c2cc(N(c4ccc(OC)cc4)c4ccc(OC)cc4)ccc2n3-c2cc3c(s2)c2cc(-n4c5ccc(N(c6ccc(OC)cc6)c6ccc(OC)cc6)cc5c5cc(N(c6ccc(OC)cc6)c6ccc(OC)cc6)ccc54)sc2c2cc(-n4c5ccc(N(c6ccc(OC)cc6)c6ccc(OC)cc6)cc5c5cc(N(c6ccc(OC)cc6)c6ccc(OC)cc6)ccc54)sc32)cc1.
What is the InChIKey of 9-[9,14-bis[3,6-bis(4-methoxy-N-(4-methoxyphenyl)anilino)carbazol-9-yl]-3,8,13-trithiatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,14-hexaen-4-yl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine?
The InChIKey is MOKPYLZNUZAPMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C132H105N9O12S3/c1-142-100-43-13-82(14-44-100)133(83-15-45-101(143-2)46-16-83)94-37-67-121-112(73-94)113-74-95(134(84-17-47-102(144-3)48-18-84)85-19-49-103(145-4)50-20-85)38-68-122(113)139(121)127-79-118-130(154-127)119-80-128(140-123-69-39-96(135(86-21-51-104(146-5)52-22-86)87-23-53-105(147-6)54-24-87)75-114(123)115-76-97(40-70-124(115)140)136(88-25-55-106(148-7)56-26-88)89-27-57-107(149-8)58-28-89)156-132(119)120-81-129(155-131(118)120)141-125-71-41-98(137(90-29-59-108(150-9)60-30-90)91-31-61-109(151-10)62-32-91)77-116(125)117-78-99(42-72-126(117)141)138(92-33-63-110(152-11)64-34-92)93-35-65-111(153-12)66-36-93/h13-81H,1-12H3.
What are the key properties of 9-[9,14-bis[3,6-bis(4-methoxy-N-(4-methoxyphenyl)anilino)carbazol-9-yl]-3,8,13-trithiatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,14-hexaen-4-yl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine?
9-[9,14-bis[3,6-bis(4-methoxy-N-(4-methoxyphenyl)anilino)carbazol-9-yl]-3,8,13-trithiatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,14-hexaen-4-yl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine has a molecular weight of 2105.54 g/mol, XLogP of 35.54, 33 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[9,14-bis[3,6-bis(4-methoxy-N-(4-methoxyphenyl)anilino)carbazol-9-yl]-3,8,13-trithiatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,14-hexaen-4-yl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine is sourced from PubChem (CID 132531146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).