9-[2-[3,6-bis[(9-ethylcarbazol-2-yl)-(9-ethylcarbazol-3-yl)amino]carbazol-9-yl]-3,4-dimethylcyclobutyl]-3-N,6-N-bis(9-ethylcarbazol-2-yl)-3-N,6-N-bis(9-ethylcarbazol-3-yl)carbazole-3,6-diamine

C142H118N14 — CID 168736679

IUPAC9-[2-[3,6-bis[(9-ethylcarbazol-2-yl)-(9-ethylcarbazol-3-yl)amino]carbazol-9-yl]-3,4-dimethylcyclobutyl]-3-N,6-N-bis(9-ethylcarbazol-2-yl)-3-N,6-N-bis(9-ethylcarbazol-3-yl)carbazole-3,6-diamine
SMILESCCn1c2ccccc2c2cc(N(c3ccc4c(c3)c3cc(N(c5ccc6c(c5)c5ccccc5n6CC)c5ccc6c7ccccc7n(CC)c6c5)ccc3n4C3C(C)C(C)C3n3c4ccc(N(c5ccc6c(c5)c5ccccc5n6CC)c5ccc6c7ccccc7n(CC)c6c5)cc4c4cc(N(c5ccc6c(c5)c5ccccc5n6CC)c5ccc6c7ccccc7n(CC)c6c5)ccc43)c3ccc4c5ccccc5n(CC)c4c3)ccc21
InChIInChI=1S/C142H118N14/c1-11-143-125-47-31-23-39-105(125)113-75-89(55-67-129(113)143)151(97-51-63-109-101-35-19-27-43-121(101)147(15-5)137(109)83-97)93-59-71-133-117(79-93)118-80-94(152(90-56-68-130-114(76-90)106-40-24-32-48-126(106)144(130)12-2)98-52-64-110-102-36-20-28-44-122(102)148(16-6)138(110)84-98)60-72-134(118)155(133)141-87(9)88(10)142(141)156-135-73-61-95(153(91-57-69-131-115(77-91)107-41-25-33-49-127(107)145(131)13-3)99-53-65-111-103-37-21-29-45-123(103)149(17-7)139(111)85-99)81-119(135)120-82-96(62-74-136(120)156)154(92-58-70-132-116(78-92)108-42-26-34-50-128(108)146(132)14-4)100-54-66-112-104-38-22-30-46-124(104)150(18-8)140(112)86-100/h19-88,141-142H,11-18H2,1-10H3
InChIKeyAEYMKUGIGGFSBU-UHFFFAOYSA-N
MW2020.60 g/mol
LogP38.87
Rot. Bonds22

About 9-[2-[3,6-bis[(9-ethylcarbazol-2-yl)-(9-ethylcarbazol-3-yl)amino]carbazol-9-yl]-3,4-dimethylcyclobutyl]-3-N,6-N-bis(9-ethylcarbazol-2-yl)-3-N,6-N-bis(9-ethylcarbazol-3-yl)carbazole-3,6-diamine

9-[2-[3,6-bis[(9-ethylcarbazol-2-yl)-(9-ethylcarbazol-3-yl)amino]carbazol-9-yl]-3,4-dimethylcyclobutyl]-3-N,6-N-bis(9-ethylcarbazol-2-yl)-3-N,6-N-bis(9-ethylcarbazol-3-yl)carbazole-3,6-diamine (PubChem CID 168736679) has the molecular formula C142H118N14 and a molecular weight of 2020.60 g/mol. Its IUPAC name is 9-[2-[3,6-bis[(9-ethylcarbazol-2-yl)-(9-ethylcarbazol-3-yl)amino]carbazol-9-yl]-3,4-dimethylcyclobutyl]-3-N,6-N-bis(9-ethylcarbazol-2-yl)-3-N,6-N-bis(9-ethylcarbazol-3-yl)carbazole-3,6-diamine.

Molecular Properties

Compound Name9-[2-[3,6-bis[(9-ethylcarbazol-2-yl)-(9-ethylcarbazol-3-yl)amino]carbazol-9-yl]-3,4-dimethylcyclobutyl]-3-N,6-N-bis(9-ethylcarbazol-2-yl)-3-N,6-N-bis(9-ethylcarbazol-3-yl)carbazole-3,6-diamine
PubChem CID168736679
Molecular FormulaC142H118N14
Molecular Weight2020.60 g/mol
Exact Mass2018.97
IUPAC Name9-[2-[3,6-bis[(9-ethylcarbazol-2-yl)-(9-ethylcarbazol-3-yl)amino]carbazol-9-yl]-3,4-dimethylcyclobutyl]-3-N,6-N-bis(9-ethylcarbazol-2-yl)-3-N,6-N-bis(9-ethylcarbazol-3-yl)carbazole-3,6-diamine
SMILESCCn1c2ccccc2c2cc(N(c3ccc4c(c3)c3cc(N(c5ccc6c(c5)c5ccccc5n6CC)c5ccc6c7ccccc7n(CC)c6c5)ccc3n4C3C(C)C(C)C3n3c4ccc(N(c5ccc6c(c5)c5ccccc5n6CC)c5ccc6c7ccccc7n(CC)c6c5)cc4c4cc(N(c5ccc6c(c5)c5ccccc5n6CC)c5ccc6c7ccccc7n(CC)c6c5)ccc43)c3ccc4c5ccccc5n(CC)c4c3)ccc21
InChIInChI=1S/C142H118N14/c1-11-143-125-47-31-23-39-105(125)113-75-89(55-67-129(113)143)151(97-51-63-109-101-35-19-27-43-121(101)147(15-5)137(109)83-97)93-59-71-133-117(79-93)118-80-94(152(90-56-68-130-114(76-90)106-40-24-32-48-126(106)144(130)12-2)98-52-64-110-102-36-20-28-44-122(102)148(16-6)138(110)84-98)60-72-134(118)155(133)141-87(9)88(10)142(141)156-135-73-61-95(153(91-57-69-131-115(77-91)107-41-25-33-49-127(107)145(131)13-3)99-53-65-111-103-37-21-29-45-123(103)149(17-7)139(111)85-99)81-119(135)120-82-96(62-74-136(120)156)154(92-58-70-132-116(78-92)108-42-26-34-50-128(108)146(132)14-4)100-54-66-112-104-38-22-30-46-124(104)150(18-8)140(112)86-100/h19-88,141-142H,11-18H2,1-10H3
InChIKeyAEYMKUGIGGFSBU-UHFFFAOYSA-N
XLogP38.87
TPSA62.26 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds22
Heavy Atoms156
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002020.60
LogP ≤ 538.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 9-[2-[3,6-bis[(9-ethylcarbazol-2-yl)-(9-ethylcarbazol-3-yl)amino]carbazol-9-yl]-3,4-dimethylcyclobutyl]-3-N,6-N-bis(9-ethylcarbazol-2-yl)-3-N,6-N-bis(9-ethylcarbazol-3-yl)carbazole-3,6-diamine with MolForge

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Related Compounds

9-[2-[3,6-bis(N-phenylanilino)carbazol-9-yl]-3,4-dimethylcyclobutyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine
CID 168736678
3-N-(9-ethylcarbazol-2-yl)-1-N,1-N-diphenyl-3-N-[3-(N-phenylanilino)phenyl]benzene-1,3-diamine
CID 177275887
23-ethyl-N,N-diphenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaen-10-amine
CID 89417765
23-ethyl-N,N-bis(4-phenylphenyl)-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaen-10-amine
CID 86677000
[4-[bis(9-ethylcarbazol-3-yl)amino]phenyl]-phenylmethanone
CID 177399395
9-ethyl-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine;bis(9-methyl-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine)
CID 159037190
9-ethyl-N-[4-[10-[4-(N-(9-ethylcarbazol-3-yl)anilino)phenyl]anthracen-9-yl]phenyl]-N-phenylcarbazol-3-amine;9-ethyl-N-[4-[10-[4-(N-(9-ethylcarbazol-3-yl)anilino)phenyl]-3-methylanthracen-9-yl]phenyl]-N-phenylcarbazol-3-amine;9-methyl-N-[4-[3-methyl-10-[4-(N-(9-methylcarbazol-3-yl)anilino)phenyl]anthracen-9-yl]phenyl]-N-phenylcarbazol-3-amine
CID 158145528
9-ethyl-N-[4-[10-[4-(N-(9-ethylcarbazol-3-yl)anilino)phenyl]anthracen-9-yl]phenyl]-N-phenylcarbazol-3-amine;9-methyl-N-[4-[10-[4-(N-(9-methylcarbazol-3-yl)anilino)phenyl]anthracen-9-yl]phenyl]-N-phenylcarbazol-3-amine;9-methyl-N-[4-[3-methyl-10-[4-(N-(9-methylcarbazol-3-yl)anilino)phenyl]anthracen-9-yl]phenyl]-N-phenylcarbazol-3-amine
CID 159034254
9-ethyl-2-[7-(9-ethylcarbazol-2-yl)triphenylen-2-yl]carbazole
CID 141303114
9-ethyl-2-methylcarbazole
CID 19788789
9-ethyl-3-N,6-N-dinaphthalen-1-yl-3-N,6-N-diphenylcarbazole-3,6-diamine
CID 53433854
9-N,23-N-bis(9-ethylcarbazol-3-yl)-9-N,23-N-diphenyl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine
CID 155360415

Frequently Asked Questions

What is the IUPAC name of 9-[2-[3,6-bis[(9-ethylcarbazol-2-yl)-(9-ethylcarbazol-3-yl)amino]carbazol-9-yl]-3,4-dimethylcyclobutyl]-3-N,6-N-bis(9-ethylcarbazol-2-yl)-3-N,6-N-bis(9-ethylcarbazol-3-yl)carbazole-3,6-diamine?
The IUPAC name of 9-[2-[3,6-bis[(9-ethylcarbazol-2-yl)-(9-ethylcarbazol-3-yl)amino]carbazol-9-yl]-3,4-dimethylcyclobutyl]-3-N,6-N-bis(9-ethylcarbazol-2-yl)-3-N,6-N-bis(9-ethylcarbazol-3-yl)carbazole-3,6-diamine (CID 168736679) is 9-[2-[3,6-bis[(9-ethylcarbazol-2-yl)-(9-ethylcarbazol-3-yl)amino]carbazol-9-yl]-3,4-dimethylcyclobutyl]-3-N,6-N-bis(9-ethylcarbazol-2-yl)-3-N,6-N-bis(9-ethylcarbazol-3-yl)carbazole-3,6-diamine.
What is the SMILES notation for 9-[2-[3,6-bis[(9-ethylcarbazol-2-yl)-(9-ethylcarbazol-3-yl)amino]carbazol-9-yl]-3,4-dimethylcyclobutyl]-3-N,6-N-bis(9-ethylcarbazol-2-yl)-3-N,6-N-bis(9-ethylcarbazol-3-yl)carbazole-3,6-diamine?
The canonical SMILES for 9-[2-[3,6-bis[(9-ethylcarbazol-2-yl)-(9-ethylcarbazol-3-yl)amino]carbazol-9-yl]-3,4-dimethylcyclobutyl]-3-N,6-N-bis(9-ethylcarbazol-2-yl)-3-N,6-N-bis(9-ethylcarbazol-3-yl)carbazole-3,6-diamine is CCn1c2ccccc2c2cc(N(c3ccc4c(c3)c3cc(N(c5ccc6c(c5)c5ccccc5n6CC)c5ccc6c7ccccc7n(CC)c6c5)ccc3n4C3C(C)C(C)C3n3c4ccc(N(c5ccc6c(c5)c5ccccc5n6CC)c5ccc6c7ccccc7n(CC)c6c5)cc4c4cc(N(c5ccc6c(c5)c5ccccc5n6CC)c5ccc6c7ccccc7n(CC)c6c5)ccc43)c3ccc4c5ccccc5n(CC)c4c3)ccc21.
What is the InChIKey of 9-[2-[3,6-bis[(9-ethylcarbazol-2-yl)-(9-ethylcarbazol-3-yl)amino]carbazol-9-yl]-3,4-dimethylcyclobutyl]-3-N,6-N-bis(9-ethylcarbazol-2-yl)-3-N,6-N-bis(9-ethylcarbazol-3-yl)carbazole-3,6-diamine?
The InChIKey is AEYMKUGIGGFSBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C142H118N14/c1-11-143-125-47-31-23-39-105(125)113-75-89(55-67-129(113)143)151(97-51-63-109-101-35-19-27-43-121(101)147(15-5)137(109)83-97)93-59-71-133-117(79-93)118-80-94(152(90-56-68-130-114(76-90)106-40-24-32-48-126(106)144(130)12-2)98-52-64-110-102-36-20-28-44-122(102)148(16-6)138(110)84-98)60-72-134(118)155(133)141-87(9)88(10)142(141)156-135-73-61-95(153(91-57-69-131-115(77-91)107-41-25-33-49-127(107)145(131)13-3)99-53-65-111-103-37-21-29-45-123(103)149(17-7)139(111)85-99)81-119(135)120-82-96(62-74-136(120)156)154(92-58-70-132-116(78-92)108-42-26-34-50-128(108)146(132)14-4)100-54-66-112-104-38-22-30-46-124(104)150(18-8)140(112)86-100/h19-88,141-142H,11-18H2,1-10H3.
What are the key properties of 9-[2-[3,6-bis[(9-ethylcarbazol-2-yl)-(9-ethylcarbazol-3-yl)amino]carbazol-9-yl]-3,4-dimethylcyclobutyl]-3-N,6-N-bis(9-ethylcarbazol-2-yl)-3-N,6-N-bis(9-ethylcarbazol-3-yl)carbazole-3,6-diamine?
9-[2-[3,6-bis[(9-ethylcarbazol-2-yl)-(9-ethylcarbazol-3-yl)amino]carbazol-9-yl]-3,4-dimethylcyclobutyl]-3-N,6-N-bis(9-ethylcarbazol-2-yl)-3-N,6-N-bis(9-ethylcarbazol-3-yl)carbazole-3,6-diamine has a molecular weight of 2020.60 g/mol, XLogP of 38.87, 22 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-[3,6-bis[(9-ethylcarbazol-2-yl)-(9-ethylcarbazol-3-yl)amino]carbazol-9-yl]-3,4-dimethylcyclobutyl]-3-N,6-N-bis(9-ethylcarbazol-2-yl)-3-N,6-N-bis(9-ethylcarbazol-3-yl)carbazole-3,6-diamine is sourced from PubChem (CID 168736679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).