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

C129H111N9O12 — CID 122546741

IUPAC9-[[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
SMILESCOc1ccc(N(c2ccc(OC)cc2)c2ccc3c(c2)c2cc(N(c4ccc(OC)cc4)c4ccc(OC)cc4)ccc2n3Cc2cc(Cn3c4ccc(N(c5ccc(OC)cc5)c5ccc(OC)cc5)cc4c4cc(N(c5ccc(OC)cc5)c5ccc(OC)cc5)ccc43)cc(Cn3c4ccc(N(c5ccc(OC)cc5)c5ccc(OC)cc5)cc4c4cc(N(c5ccc(OC)cc5)c5ccc(OC)cc5)ccc43)c2)cc1
InChIInChI=1S/C129H111N9O12/c1-139-106-43-13-88(14-44-106)133(89-15-45-107(140-2)46-16-89)100-37-67-124-118(76-100)119-77-101(134(90-17-47-108(141-3)48-18-90)91-19-49-109(142-4)50-20-91)38-68-125(119)130(124)82-85-73-86(83-131-126-69-39-102(135(92-21-51-110(143-5)52-22-92)93-23-53-111(144-6)54-24-93)78-120(126)121-79-103(40-70-127(121)131)136(94-25-55-112(145-7)56-26-94)95-27-57-113(146-8)58-28-95)75-87(74-85)84-132-128-71-41-104(137(96-29-59-114(147-9)60-30-96)97-31-61-115(148-10)62-32-97)80-122(128)123-81-105(42-72-129(123)132)138(98-33-63-116(149-11)64-34-98)99-35-65-117(150-12)66-36-99/h13-81H,82-84H2,1-12H3
InChIKeyYGCFZOOUVYQGHY-UHFFFAOYSA-N
MW1979.36 g/mol
LogP32.08
Rot. Bonds36

About 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

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 (PubChem CID 122546741) has the molecular formula C129H111N9O12 and a molecular weight of 1979.36 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9-[[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
PubChem CID122546741
Molecular FormulaC129H111N9O12
Molecular Weight1979.36 g/mol
Exact Mass1977.84
IUPAC Name9-[[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
SMILESCOc1ccc(N(c2ccc(OC)cc2)c2ccc3c(c2)c2cc(N(c4ccc(OC)cc4)c4ccc(OC)cc4)ccc2n3Cc2cc(Cn3c4ccc(N(c5ccc(OC)cc5)c5ccc(OC)cc5)cc4c4cc(N(c5ccc(OC)cc5)c5ccc(OC)cc5)ccc43)cc(Cn3c4ccc(N(c5ccc(OC)cc5)c5ccc(OC)cc5)cc4c4cc(N(c5ccc(OC)cc5)c5ccc(OC)cc5)ccc43)c2)cc1
InChIInChI=1S/C129H111N9O12/c1-139-106-43-13-88(14-44-106)133(89-15-45-107(140-2)46-16-89)100-37-67-124-118(76-100)119-77-101(134(90-17-47-108(141-3)48-18-90)91-19-49-109(142-4)50-20-91)38-68-125(119)130(124)82-85-73-86(83-131-126-69-39-102(135(92-21-51-110(143-5)52-22-92)93-23-53-111(144-6)54-24-93)78-120(126)121-79-103(40-70-127(121)131)136(94-25-55-112(145-7)56-26-94)95-27-57-113(146-8)58-28-95)75-87(74-85)84-132-128-71-41-104(137(96-29-59-114(147-9)60-30-96)97-31-61-115(148-10)62-32-97)80-122(128)123-81-105(42-72-129(123)132)138(98-33-63-116(149-11)64-34-98)99-35-65-117(150-12)66-36-99/h13-81H,82-84H2,1-12H3
InChIKeyYGCFZOOUVYQGHY-UHFFFAOYSA-N
XLogP32.08
TPSA144.99 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds36
Heavy Atoms150
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001979.36
LogP ≤ 532.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)-9-[[4-(3-methylimidazol-3-ium-1-yl)phenyl]methyl]carbazole-3,6-diamine
CID 142611541
1-N,1-N,4-N,4-N-tetrakis(4-methoxyphenyl)benzene-1,4-diamine
CID 18996647
3-N,6-N-bis(4-ethenylphenyl)-3-N,6-N-bis(4-methoxyphenyl)-9-methylcarbazole-3,6-diamine
CID 155159230
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
[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)-N-[4-[4-(4-methoxy-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]-9-phenylcarbazol-3-amine
CID 58651978
N,N-bis(4-methoxyphenyl)-4-[9,18,27-trihexyl-14,23-bis[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaen-5-yl]aniline
CID 131970444
9-[(4-fluorophenyl)methyl]-N-[9-[(4-fluorophenyl)methyl]carbazol-3-yl]-N-(4-phenylphenyl)carbazol-3-amine
CID 59760482
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
[4-(N-[9-[2-[3-[[4-[(3-ethenylimidazol-3-ium-1-yl)methyl]phenyl]methyl]imidazol-1-ium-1-yl]ethyl]-6-[4-(hydroxymethyl)-N-(4-methoxyphenyl)anilino]carbazol-3-yl]-4-methoxyanilino)phenyl]methanol
CID 155621076
4-N,4-N-bis(4-methoxyphenyl)-1-N,1-N-dimethylbenzene-1,4-diamine
CID 70476118
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-[[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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1ccc(N(c2ccc(OC)cc2)c2ccc3c(c2)c2cc(N(c4ccc(OC)cc4)c4ccc(OC)cc4)ccc2n3Cc2cc(Cn3c4ccc(N(c5ccc(OC)cc5)c5ccc(OC)cc5)cc4c4cc(N(c5ccc(OC)cc5)c5ccc(OC)cc5)ccc43)cc(Cn3c4ccc(N(c5ccc(OC)cc5)c5ccc(OC)cc5)cc4c4cc(N(c5ccc(OC)cc5)c5ccc(OC)cc5)ccc43)c2)cc1.
What is the InChIKey of 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?
The InChIKey is YGCFZOOUVYQGHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C129H111N9O12/c1-139-106-43-13-88(14-44-106)133(89-15-45-107(140-2)46-16-89)100-37-67-124-118(76-100)119-77-101(134(90-17-47-108(141-3)48-18-90)91-19-49-109(142-4)50-20-91)38-68-125(119)130(124)82-85-73-86(83-131-126-69-39-102(135(92-21-51-110(143-5)52-22-92)93-23-53-111(144-6)54-24-93)78-120(126)121-79-103(40-70-127(121)131)136(94-25-55-112(145-7)56-26-94)95-27-57-113(146-8)58-28-95)75-87(74-85)84-132-128-71-41-104(137(96-29-59-114(147-9)60-30-96)97-31-61-115(148-10)62-32-97)80-122(128)123-81-105(42-72-129(123)132)138(98-33-63-116(149-11)64-34-98)99-35-65-117(150-12)66-36-99/h13-81H,82-84H2,1-12H3.
What are the key properties of 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?
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 has a molecular weight of 1979.36 g/mol, XLogP of 32.08, 36 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 122546741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).