N,N-bis(4-carbazol-9-ylphenyl)-4-[3-[8-(5-naphthalen-1-ylindolo[3,2-b]carbazol-11-yl)naphthalen-2-yl]carbazol-9-yl]aniline

C92H58N6 — CID 126595704

IUPACN,N-bis(4-carbazol-9-ylphenyl)-4-[3-[8-(5-naphthalen-1-ylindolo[3,2-b]carbazol-11-yl)naphthalen-2-yl]carbazol-9-yl]aniline
SMILESc1ccc2c(-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3cccc4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(N(c6ccc(-n7c8ccccc8c8ccccc87)cc6)c6ccc(-n7c8ccccc8c8ccccc87)cc6)cc5)cc34)cccc2c1
InChIInChI=1S/C92H58N6/c1-2-22-69-59(19-1)20-17-37-81(69)97-87-35-15-8-28-75(87)79-58-92-80(57-91(79)97)76-29-9-16-36-88(76)98(92)89-38-18-21-60-39-40-61(55-77(60)89)62-41-54-90-78(56-62)74-27-7-14-34-86(74)96(90)68-52-46-65(47-53-68)93(63-42-48-66(49-43-63)94-82-30-10-3-23-70(82)71-24-4-11-31-83(71)94)64-44-50-67(51-45-64)95-84-32-12-5-25-72(84)73-26-6-13-33-85(73)95/h1-58H
InChIKeyRAHGIQUAFGHYJD-UHFFFAOYSA-N
MW1247.52 g/mol
LogP24.62
Rot. Bonds9

About N,N-bis(4-carbazol-9-ylphenyl)-4-[3-[8-(5-naphthalen-1-ylindolo[3,2-b]carbazol-11-yl)naphthalen-2-yl]carbazol-9-yl]aniline

N,N-bis(4-carbazol-9-ylphenyl)-4-[3-[8-(5-naphthalen-1-ylindolo[3,2-b]carbazol-11-yl)naphthalen-2-yl]carbazol-9-yl]aniline (PubChem CID 126595704) has the molecular formula C92H58N6 and a molecular weight of 1247.52 g/mol. Its IUPAC name is N,N-bis(4-carbazol-9-ylphenyl)-4-[3-[8-(5-naphthalen-1-ylindolo[3,2-b]carbazol-11-yl)naphthalen-2-yl]carbazol-9-yl]aniline.

Molecular Properties

Compound NameN,N-bis(4-carbazol-9-ylphenyl)-4-[3-[8-(5-naphthalen-1-ylindolo[3,2-b]carbazol-11-yl)naphthalen-2-yl]carbazol-9-yl]aniline
PubChem CID126595704
Molecular FormulaC92H58N6
Molecular Weight1247.52 g/mol
Exact Mass1246.47
IUPAC NameN,N-bis(4-carbazol-9-ylphenyl)-4-[3-[8-(5-naphthalen-1-ylindolo[3,2-b]carbazol-11-yl)naphthalen-2-yl]carbazol-9-yl]aniline
SMILESc1ccc2c(-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3cccc4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(N(c6ccc(-n7c8ccccc8c8ccccc87)cc6)c6ccc(-n7c8ccccc8c8ccccc87)cc6)cc5)cc34)cccc2c1
InChIInChI=1S/C92H58N6/c1-2-22-69-59(19-1)20-17-37-81(69)97-87-35-15-8-28-75(87)79-58-92-80(57-91(79)97)76-29-9-16-36-88(76)98(92)89-38-18-21-60-39-40-61(55-77(60)89)62-41-54-90-78(56-62)74-27-7-14-34-86(74)96(90)68-52-46-65(47-53-68)93(63-42-48-66(49-43-63)94-82-30-10-3-23-70(82)71-24-4-11-31-83(71)94)64-44-50-67(51-45-64)95-84-32-12-5-25-72(84)73-26-6-13-33-85(73)95/h1-58H
InChIKeyRAHGIQUAFGHYJD-UHFFFAOYSA-N
XLogP24.62
TPSA27.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms98
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001247.52
LogP ≤ 524.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(9-naphthalen-1-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 159733846
2-(9-naphthalen-1-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 142356851
9-naphthalen-1-yl-3-(9-naphthalen-1-ylcarbazol-3-yl)carbazole;9-naphthalen-1-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)carbazole;9-naphthalen-2-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)carbazole
CID 164975300
4-[4-[3,6-bis(4-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]-N,N-bis[4-[4-[3,6-bis(4-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]phenyl]aniline
CID 71493884
3-(9-naphthalen-1-ylcarbazol-3-yl)-9-phenylcarbazole;9-naphthalen-1-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)carbazole;9-naphthalen-2-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)carbazole
CID 159472470
3-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole;9-naphthalen-1-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)carbazole
CID 160549221
N-(4-carbazol-9-ylphenyl)-4-(9-ethylcarbazol-3-yl)-N-phenylaniline;N-(4-carbazol-9-ylphenyl)-4-(9-methylcarbazol-3-yl)-N-phenylaniline;N-(4-carbazol-9-ylphenyl)-4-(9-naphthalen-1-ylcarbazol-3-yl)-N-phenylaniline;N-(4-carbazol-9-ylphenyl)-4-(9-naphthalen-2-ylcarbazol-3-yl)-N-phenylaniline
CID 160729774
N-phenyl-4-(9-phenylcarbazol-3-yl)-N-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]aniline
CID 66585271
5-naphthalen-1-yl-7-(4-naphthalen-2-ylphenyl)indolo[2,3-b]carbazole
CID 170929713
5-naphthalen-1-yl-2-(9-naphthalen-2-ylcarbazol-3-yl)-7-(4-phenylphenyl)indolo[2,3-b]carbazole;5-naphthalen-1-yl-7-naphthalen-2-yl-2-(9-naphthalen-2-ylcarbazol-3-yl)indolo[2,3-b]carbazole
CID 160638054
2-(7-naphthalen-1-ylbenzo[c]carbazol-2-yl)-7-phenylbenzo[c]carbazole
CID 131979777
11-[3,5-bis(4-phenylphenyl)phenyl]-5-phenylindolo[3,2-b]carbazole;5-(3,5-diphenylphenyl)-2,11-diphenylindolo[3,2-b]carbazole;11-(3,5-diphenylphenyl)-5-naphthalen-1-ylindolo[3,2-b]carbazole
CID 158931818

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-carbazol-9-ylphenyl)-4-[3-[8-(5-naphthalen-1-ylindolo[3,2-b]carbazol-11-yl)naphthalen-2-yl]carbazol-9-yl]aniline?
The IUPAC name of N,N-bis(4-carbazol-9-ylphenyl)-4-[3-[8-(5-naphthalen-1-ylindolo[3,2-b]carbazol-11-yl)naphthalen-2-yl]carbazol-9-yl]aniline (CID 126595704) is N,N-bis(4-carbazol-9-ylphenyl)-4-[3-[8-(5-naphthalen-1-ylindolo[3,2-b]carbazol-11-yl)naphthalen-2-yl]carbazol-9-yl]aniline.
What is the SMILES notation for N,N-bis(4-carbazol-9-ylphenyl)-4-[3-[8-(5-naphthalen-1-ylindolo[3,2-b]carbazol-11-yl)naphthalen-2-yl]carbazol-9-yl]aniline?
The canonical SMILES for N,N-bis(4-carbazol-9-ylphenyl)-4-[3-[8-(5-naphthalen-1-ylindolo[3,2-b]carbazol-11-yl)naphthalen-2-yl]carbazol-9-yl]aniline is c1ccc2c(-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3cccc4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(N(c6ccc(-n7c8ccccc8c8ccccc87)cc6)c6ccc(-n7c8ccccc8c8ccccc87)cc6)cc5)cc34)cccc2c1.
What is the InChIKey of N,N-bis(4-carbazol-9-ylphenyl)-4-[3-[8-(5-naphthalen-1-ylindolo[3,2-b]carbazol-11-yl)naphthalen-2-yl]carbazol-9-yl]aniline?
The InChIKey is RAHGIQUAFGHYJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C92H58N6/c1-2-22-69-59(19-1)20-17-37-81(69)97-87-35-15-8-28-75(87)79-58-92-80(57-91(79)97)76-29-9-16-36-88(76)98(92)89-38-18-21-60-39-40-61(55-77(60)89)62-41-54-90-78(56-62)74-27-7-14-34-86(74)96(90)68-52-46-65(47-53-68)93(63-42-48-66(49-43-63)94-82-30-10-3-23-70(82)71-24-4-11-31-83(71)94)64-44-50-67(51-45-64)95-84-32-12-5-25-72(84)73-26-6-13-33-85(73)95/h1-58H.
What are the key properties of N,N-bis(4-carbazol-9-ylphenyl)-4-[3-[8-(5-naphthalen-1-ylindolo[3,2-b]carbazol-11-yl)naphthalen-2-yl]carbazol-9-yl]aniline?
N,N-bis(4-carbazol-9-ylphenyl)-4-[3-[8-(5-naphthalen-1-ylindolo[3,2-b]carbazol-11-yl)naphthalen-2-yl]carbazol-9-yl]aniline has a molecular weight of 1247.52 g/mol, XLogP of 24.62, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-carbazol-9-ylphenyl)-4-[3-[8-(5-naphthalen-1-ylindolo[3,2-b]carbazol-11-yl)naphthalen-2-yl]carbazol-9-yl]aniline is sourced from PubChem (CID 126595704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).