3-N,6-N-bis(2,4-difluorophenyl)-9-phenyl-3-N,6-N-bis(9-phenylcarbazol-3-yl)carbazole-3,6-diamine

C66H41F4N5 — CID 59844854

IUPAC3-N,6-N-bis(2,4-difluorophenyl)-9-phenyl-3-N,6-N-bis(9-phenylcarbazol-3-yl)carbazole-3,6-diamine
SMILESFc1ccc(N(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2ccc3c(c2)c2cc(N(c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c4ccc(F)cc4F)ccc2n3-c2ccccc2)c(F)c1
InChIInChI=1S/C66H41F4N5/c67-42-24-30-65(57(69)36-42)71(47-26-32-61-53(38-47)51-20-10-12-22-59(51)73(61)44-14-4-1-5-15-44)49-28-34-63-55(40-49)56-41-50(29-35-64(56)75(63)46-18-8-3-9-19-46)72(66-31-25-43(68)37-58(66)70)48-27-33-62-54(39-48)52-21-11-13-23-60(52)74(62)45-16-6-2-7-17-45/h1-41H
InChIKeyBHWQAUZAWPCZOL-UHFFFAOYSA-N
MW980.08 g/mol
LogP18.47
Rot. Bonds9

About 3-N,6-N-bis(2,4-difluorophenyl)-9-phenyl-3-N,6-N-bis(9-phenylcarbazol-3-yl)carbazole-3,6-diamine

3-N,6-N-bis(2,4-difluorophenyl)-9-phenyl-3-N,6-N-bis(9-phenylcarbazol-3-yl)carbazole-3,6-diamine (PubChem CID 59844854) has the molecular formula C66H41F4N5 and a molecular weight of 980.08 g/mol. Its IUPAC name is 3-N,6-N-bis(2,4-difluorophenyl)-9-phenyl-3-N,6-N-bis(9-phenylcarbazol-3-yl)carbazole-3,6-diamine.

Molecular Properties

Compound Name3-N,6-N-bis(2,4-difluorophenyl)-9-phenyl-3-N,6-N-bis(9-phenylcarbazol-3-yl)carbazole-3,6-diamine
PubChem CID59844854
Molecular FormulaC66H41F4N5
Molecular Weight980.08 g/mol
Exact Mass979.33
IUPAC Name3-N,6-N-bis(2,4-difluorophenyl)-9-phenyl-3-N,6-N-bis(9-phenylcarbazol-3-yl)carbazole-3,6-diamine
SMILESFc1ccc(N(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2ccc3c(c2)c2cc(N(c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c4ccc(F)cc4F)ccc2n3-c2ccccc2)c(F)c1
InChIInChI=1S/C66H41F4N5/c67-42-24-30-65(57(69)36-42)71(47-26-32-61-53(38-47)51-20-10-12-22-59(51)73(61)44-14-4-1-5-15-44)49-28-34-63-55(40-49)56-41-50(29-35-64(56)75(63)46-18-8-3-9-19-46)72(66-31-25-43(68)37-58(66)70)48-27-33-62-54(39-48)52-21-11-13-23-60(52)74(62)45-16-6-2-7-17-45/h1-41H
InChIKeyBHWQAUZAWPCZOL-UHFFFAOYSA-N
XLogP18.47
TPSA21.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500980.08
LogP ≤ 518.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-N,4-N-bis(4-fluorophenyl)-1-N,4-N-bis(9-phenylcarbazol-3-yl)benzene-1,4-diamine
CID 58983384
4-N-(2-fluorophenyl)-1-N,1-N-diphenyl-4-N-(9-phenylcarbazol-3-yl)benzene-1,4-diamine
CID 59844234
6-fluoro-N,9-diphenyl-N-(9-phenylcarbazol-2-yl)carbazol-2-amine
CID 138549150
9-phenyl-N-(2,4,6-trifluorophenyl)-N-[4-[4-(2,4,6-trifluoro-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine
CID 59844911
6-fluoro-N,9-diphenyl-N-(9-phenylcarbazol-2-yl)carbazol-1-amine
CID 138549018
9-(4-fluorophenyl)-N-[4-[4-[4-(4-fluorophenyl)-N-[9-(4-fluorophenyl)carbazol-3-yl]anilino]phenyl]phenyl]-N-[4-(4-fluorophenyl)phenyl]carbazol-3-amine
CID 59844874
7-fluoro-N,9-diphenyl-N-(9-phenylcarbazol-2-yl)carbazol-2-amine
CID 138549065
1-N,7-N-diphenyl-1-N,7-N-bis(9-phenylcarbazol-3-yl)chrysene-1,7-diamine
CID 170410725
N-(3,4-difluorophenyl)-N-[4-[4-(3,4-difluoro-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]-9-phenylcarbazol-3-amine
CID 59844914
N-(4-fluorophenyl)-N-[4-[4-(N-naphthalen-2-yl-4-phenylanilino)naphthalen-1-yl]phenyl]-9-phenylcarbazol-3-amine
CID 59181411
N-(3-fluorophenyl)-9-phenyl-N-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-(3-fluoro-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine
CID 59844886
N-phenyl-9-(9-phenylcarbazol-3-yl)-N-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazol-3-amine
CID 59365518

Frequently Asked Questions

What is the IUPAC name of 3-N,6-N-bis(2,4-difluorophenyl)-9-phenyl-3-N,6-N-bis(9-phenylcarbazol-3-yl)carbazole-3,6-diamine?
The IUPAC name of 3-N,6-N-bis(2,4-difluorophenyl)-9-phenyl-3-N,6-N-bis(9-phenylcarbazol-3-yl)carbazole-3,6-diamine (CID 59844854) is 3-N,6-N-bis(2,4-difluorophenyl)-9-phenyl-3-N,6-N-bis(9-phenylcarbazol-3-yl)carbazole-3,6-diamine.
What is the SMILES notation for 3-N,6-N-bis(2,4-difluorophenyl)-9-phenyl-3-N,6-N-bis(9-phenylcarbazol-3-yl)carbazole-3,6-diamine?
The canonical SMILES for 3-N,6-N-bis(2,4-difluorophenyl)-9-phenyl-3-N,6-N-bis(9-phenylcarbazol-3-yl)carbazole-3,6-diamine is Fc1ccc(N(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2ccc3c(c2)c2cc(N(c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c4ccc(F)cc4F)ccc2n3-c2ccccc2)c(F)c1.
What is the InChIKey of 3-N,6-N-bis(2,4-difluorophenyl)-9-phenyl-3-N,6-N-bis(9-phenylcarbazol-3-yl)carbazole-3,6-diamine?
The InChIKey is BHWQAUZAWPCZOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H41F4N5/c67-42-24-30-65(57(69)36-42)71(47-26-32-61-53(38-47)51-20-10-12-22-59(51)73(61)44-14-4-1-5-15-44)49-28-34-63-55(40-49)56-41-50(29-35-64(56)75(63)46-18-8-3-9-19-46)72(66-31-25-43(68)37-58(66)70)48-27-33-62-54(39-48)52-21-11-13-23-60(52)74(62)45-16-6-2-7-17-45/h1-41H.
What are the key properties of 3-N,6-N-bis(2,4-difluorophenyl)-9-phenyl-3-N,6-N-bis(9-phenylcarbazol-3-yl)carbazole-3,6-diamine?
3-N,6-N-bis(2,4-difluorophenyl)-9-phenyl-3-N,6-N-bis(9-phenylcarbazol-3-yl)carbazole-3,6-diamine has a molecular weight of 980.08 g/mol, XLogP of 18.47, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,6-N-bis(2,4-difluorophenyl)-9-phenyl-3-N,6-N-bis(9-phenylcarbazol-3-yl)carbazole-3,6-diamine is sourced from PubChem (CID 59844854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).