1-N,4-N-bis(4-fluorophenyl)-1-N,4-N-bis(9-phenylcarbazol-3-yl)benzene-1,4-diamine

C54H36F2N4 — CID 58983384

IUPAC1-N,4-N-bis(4-fluorophenyl)-1-N,4-N-bis(9-phenylcarbazol-3-yl)benzene-1,4-diamine
SMILESFc1ccc(N(c2ccc(N(c3ccc(F)cc3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1
InChIInChI=1S/C54H36F2N4/c55-37-19-23-41(24-20-37)57(45-31-33-53-49(35-45)47-15-7-9-17-51(47)59(53)39-11-3-1-4-12-39)43-27-29-44(30-28-43)58(42-25-21-38(56)22-26-42)46-32-34-54-50(36-46)48-16-8-10-18-52(48)60(54)40-13-5-2-6-14-40/h1-36H
InChIKeyRKMNFIDMNVDVMH-UHFFFAOYSA-N
MW778.91 g/mol
LogP15.10
Rot. Bonds8

About 1-N,4-N-bis(4-fluorophenyl)-1-N,4-N-bis(9-phenylcarbazol-3-yl)benzene-1,4-diamine

1-N,4-N-bis(4-fluorophenyl)-1-N,4-N-bis(9-phenylcarbazol-3-yl)benzene-1,4-diamine (PubChem CID 58983384) has the molecular formula C54H36F2N4 and a molecular weight of 778.91 g/mol. Its IUPAC name is 1-N,4-N-bis(4-fluorophenyl)-1-N,4-N-bis(9-phenylcarbazol-3-yl)benzene-1,4-diamine.

Molecular Properties

Compound Name1-N,4-N-bis(4-fluorophenyl)-1-N,4-N-bis(9-phenylcarbazol-3-yl)benzene-1,4-diamine
PubChem CID58983384
Molecular FormulaC54H36F2N4
Molecular Weight778.91 g/mol
Exact Mass778.29
IUPAC Name1-N,4-N-bis(4-fluorophenyl)-1-N,4-N-bis(9-phenylcarbazol-3-yl)benzene-1,4-diamine
SMILESFc1ccc(N(c2ccc(N(c3ccc(F)cc3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1
InChIInChI=1S/C54H36F2N4/c55-37-19-23-41(24-20-37)57(45-31-33-53-49(35-45)47-15-7-9-17-51(47)59(53)39-11-3-1-4-12-39)43-27-29-44(30-28-43)58(42-25-21-38(56)22-26-42)46-32-34-54-50(36-46)48-16-8-10-18-52(48)60(54)40-13-5-2-6-14-40/h1-36H
InChIKeyRKMNFIDMNVDVMH-UHFFFAOYSA-N
XLogP15.10
TPSA16.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500778.91
LogP ≤ 515.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-fluoro-N,9-diphenyl-N-(9-phenylcarbazol-2-yl)carbazol-2-amine
CID 138549150
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
4-N-[9-(4-fluorophenyl)-6-triphenylgermylcarbazol-3-yl]-1-N,1-N-diphenyl-4-N-(9-phenylcarbazol-3-yl)benzene-1,4-diamine
CID 140704798
N-phenyl-9-(9-phenylcarbazol-3-yl)-N-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazol-3-amine
CID 59365518
N,N-diphenyl-9-(9-phenylcarbazol-3-yl)carbazol-3-amine
CID 90168095
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-bis(4-fluorophenyl)-N-[4-(4-triphenylgermylphenyl)phenyl]carbazol-3-amine
CID 140704816
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,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-(4-methylphenyl)-N,9-diphenylcarbazol-3-amine
CID 90181897

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-bis(4-fluorophenyl)-1-N,4-N-bis(9-phenylcarbazol-3-yl)benzene-1,4-diamine?
The IUPAC name of 1-N,4-N-bis(4-fluorophenyl)-1-N,4-N-bis(9-phenylcarbazol-3-yl)benzene-1,4-diamine (CID 58983384) is 1-N,4-N-bis(4-fluorophenyl)-1-N,4-N-bis(9-phenylcarbazol-3-yl)benzene-1,4-diamine.
What is the SMILES notation for 1-N,4-N-bis(4-fluorophenyl)-1-N,4-N-bis(9-phenylcarbazol-3-yl)benzene-1,4-diamine?
The canonical SMILES for 1-N,4-N-bis(4-fluorophenyl)-1-N,4-N-bis(9-phenylcarbazol-3-yl)benzene-1,4-diamine is Fc1ccc(N(c2ccc(N(c3ccc(F)cc3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1.
What is the InChIKey of 1-N,4-N-bis(4-fluorophenyl)-1-N,4-N-bis(9-phenylcarbazol-3-yl)benzene-1,4-diamine?
The InChIKey is RKMNFIDMNVDVMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36F2N4/c55-37-19-23-41(24-20-37)57(45-31-33-53-49(35-45)47-15-7-9-17-51(47)59(53)39-11-3-1-4-12-39)43-27-29-44(30-28-43)58(42-25-21-38(56)22-26-42)46-32-34-54-50(36-46)48-16-8-10-18-52(48)60(54)40-13-5-2-6-14-40/h1-36H.
What are the key properties of 1-N,4-N-bis(4-fluorophenyl)-1-N,4-N-bis(9-phenylcarbazol-3-yl)benzene-1,4-diamine?
1-N,4-N-bis(4-fluorophenyl)-1-N,4-N-bis(9-phenylcarbazol-3-yl)benzene-1,4-diamine has a molecular weight of 778.91 g/mol, XLogP of 15.10, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-bis(4-fluorophenyl)-1-N,4-N-bis(9-phenylcarbazol-3-yl)benzene-1,4-diamine is sourced from PubChem (CID 58983384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).