N-(3,4-difluorophenyl)-N-[4-[4-(3,4-difluoro-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]-9-phenylcarbazol-3-amine

C60H38F4N4 — CID 59844914

IUPACN-(3,4-difluorophenyl)-N-[4-[4-(3,4-difluoro-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]-9-phenylcarbazol-3-amine
SMILESFc1ccc(N(c2ccc(-c3ccc(N(c4ccc(F)c(F)c4)c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)cc2)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1F
InChIInChI=1S/C60H38F4N4/c61-53-31-27-47(37-55(53)63)65(45-29-33-59-51(35-45)49-15-7-9-17-57(49)67(59)41-11-3-1-4-12-41)43-23-19-39(20-24-43)40-21-25-44(26-22-40)66(48-28-32-54(62)56(64)38-48)46-30-34-60-52(36-46)50-16-8-10-18-58(50)68(60)42-13-5-2-6-14-42/h1-38H
InChIKeyKBADSLDYLOEVIT-UHFFFAOYSA-N
MW890.98 g/mol
LogP17.04
Rot. Bonds9

About N-(3,4-difluorophenyl)-N-[4-[4-(3,4-difluoro-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]-9-phenylcarbazol-3-amine

N-(3,4-difluorophenyl)-N-[4-[4-(3,4-difluoro-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]-9-phenylcarbazol-3-amine (PubChem CID 59844914) has the molecular formula C60H38F4N4 and a molecular weight of 890.98 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-N-[4-[4-(3,4-difluoro-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]-9-phenylcarbazol-3-amine.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-N-[4-[4-(3,4-difluoro-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]-9-phenylcarbazol-3-amine
PubChem CID59844914
Molecular FormulaC60H38F4N4
Molecular Weight890.98 g/mol
Exact Mass890.30
IUPAC NameN-(3,4-difluorophenyl)-N-[4-[4-(3,4-difluoro-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]-9-phenylcarbazol-3-amine
SMILESFc1ccc(N(c2ccc(-c3ccc(N(c4ccc(F)c(F)c4)c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)cc2)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1F
InChIInChI=1S/C60H38F4N4/c61-53-31-27-47(37-55(53)63)65(45-29-33-59-51(35-45)49-15-7-9-17-57(49)67(59)41-11-3-1-4-12-41)43-23-19-39(20-24-43)40-21-25-44(26-22-40)66(48-28-32-54(62)56(64)38-48)46-30-34-60-52(36-46)50-16-8-10-18-58(50)68(60)42-13-5-2-6-14-42/h1-38H
InChIKeyKBADSLDYLOEVIT-UHFFFAOYSA-N
XLogP17.04
TPSA16.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500890.98
LogP ≤ 517.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-(3,4-difluorophenyl)-N-[9-(3,4-difluorophenyl)carbazol-3-yl]-N-(4-phenylphenyl)carbazol-3-amine
CID 59760541
9-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine
CID 58651963
N,9-diphenyl-N-[9-[4-[4-[4-[3-(N-(9-phenylcarbazol-3-yl)anilino)carbazol-9-yl]phenyl]phenyl]phenyl]carbazol-3-yl]carbazol-3-amine
CID 172537472
N-[9-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]carbazol-3-yl]-N,9-diphenylcarbazol-3-amine
CID 172537557
N,9-diphenyl-N-[4-[4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine;1-N,1-N,4-N-triphenyl-4-N-[4-(4-phenyl-N-[4-(N-phenylanilino)phenyl]anilino)phenyl]benzene-1,4-diamine
CID 159618005
N-[4-(2-fluorophenyl)phenyl]-N-[4-[4-[4-(2-fluorophenyl)-N-(9-phenylcarbazol-3-yl)anilino]phenyl]phenyl]-9-phenylcarbazol-3-amine
CID 59844901
4-N,4-N-bis[9-(3,4-difluorophenyl)carbazol-3-yl]-1-N,1-N-diphenylbenzene-1,4-diamine
CID 59760508
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
N-(4-carbazol-9-ylphenyl)-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine
CID 129061469
1-N,4-N-bis(4-fluorophenyl)-1-N,4-N-bis(9-phenylcarbazol-3-yl)benzene-1,4-diamine
CID 58983384
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
N-[4-(9-phenylcarbazol-3-yl)phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 59469837

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-N-[4-[4-(3,4-difluoro-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]-9-phenylcarbazol-3-amine?
The IUPAC name of N-(3,4-difluorophenyl)-N-[4-[4-(3,4-difluoro-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]-9-phenylcarbazol-3-amine (CID 59844914) is N-(3,4-difluorophenyl)-N-[4-[4-(3,4-difluoro-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]-9-phenylcarbazol-3-amine.
What is the SMILES notation for N-(3,4-difluorophenyl)-N-[4-[4-(3,4-difluoro-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]-9-phenylcarbazol-3-amine?
The canonical SMILES for N-(3,4-difluorophenyl)-N-[4-[4-(3,4-difluoro-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]-9-phenylcarbazol-3-amine is Fc1ccc(N(c2ccc(-c3ccc(N(c4ccc(F)c(F)c4)c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)cc2)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1F.
What is the InChIKey of N-(3,4-difluorophenyl)-N-[4-[4-(3,4-difluoro-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]-9-phenylcarbazol-3-amine?
The InChIKey is KBADSLDYLOEVIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H38F4N4/c61-53-31-27-47(37-55(53)63)65(45-29-33-59-51(35-45)49-15-7-9-17-57(49)67(59)41-11-3-1-4-12-41)43-23-19-39(20-24-43)40-21-25-44(26-22-40)66(48-28-32-54(62)56(64)38-48)46-30-34-60-52(36-46)50-16-8-10-18-58(50)68(60)42-13-5-2-6-14-42/h1-38H.
What are the key properties of N-(3,4-difluorophenyl)-N-[4-[4-(3,4-difluoro-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]-9-phenylcarbazol-3-amine?
N-(3,4-difluorophenyl)-N-[4-[4-(3,4-difluoro-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]-9-phenylcarbazol-3-amine has a molecular weight of 890.98 g/mol, XLogP of 17.04, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-N-[4-[4-(3,4-difluoro-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]-9-phenylcarbazol-3-amine is sourced from PubChem (CID 59844914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).