N-[4-(2-fluorophenyl)phenyl]-N-[4-[4-[4-(2-fluorophenyl)-N-(9-phenylcarbazol-3-yl)anilino]phenyl]phenyl]-9-phenylcarbazol-3-amine

C72H48F2N4 — CID 59844901

IUPACN-[4-(2-fluorophenyl)phenyl]-N-[4-[4-[4-(2-fluorophenyl)-N-(9-phenylcarbazol-3-yl)anilino]phenyl]phenyl]-9-phenylcarbazol-3-amine
SMILESFc1ccccc1-c1ccc(N(c2ccc(-c3ccc(N(c4ccc(-c5ccccc5F)cc4)c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)cc2)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1
InChIInChI=1S/C72H48F2N4/c73-67-23-11-7-19-61(67)51-31-39-57(40-32-51)75(59-43-45-71-65(47-59)63-21-9-13-25-69(63)77(71)53-15-3-1-4-16-53)55-35-27-49(28-36-55)50-29-37-56(38-30-50)76(58-41-33-52(34-42-58)62-20-8-12-24-68(62)74)60-44-46-72-66(48-60)64-22-10-14-26-70(64)78(72)54-17-5-2-6-18-54/h1-48H
InChIKeyOKOYAEUQFYARDR-UHFFFAOYSA-N
MW1007.20 g/mol
LogP20.10
Rot. Bonds11

About N-[4-(2-fluorophenyl)phenyl]-N-[4-[4-[4-(2-fluorophenyl)-N-(9-phenylcarbazol-3-yl)anilino]phenyl]phenyl]-9-phenylcarbazol-3-amine

N-[4-(2-fluorophenyl)phenyl]-N-[4-[4-[4-(2-fluorophenyl)-N-(9-phenylcarbazol-3-yl)anilino]phenyl]phenyl]-9-phenylcarbazol-3-amine (PubChem CID 59844901) has the molecular formula C72H48F2N4 and a molecular weight of 1007.20 g/mol. Its IUPAC name is N-[4-(2-fluorophenyl)phenyl]-N-[4-[4-[4-(2-fluorophenyl)-N-(9-phenylcarbazol-3-yl)anilino]phenyl]phenyl]-9-phenylcarbazol-3-amine.

Molecular Properties

Compound NameN-[4-(2-fluorophenyl)phenyl]-N-[4-[4-[4-(2-fluorophenyl)-N-(9-phenylcarbazol-3-yl)anilino]phenyl]phenyl]-9-phenylcarbazol-3-amine
PubChem CID59844901
Molecular FormulaC72H48F2N4
Molecular Weight1007.20 g/mol
Exact Mass1006.38
IUPAC NameN-[4-(2-fluorophenyl)phenyl]-N-[4-[4-[4-(2-fluorophenyl)-N-(9-phenylcarbazol-3-yl)anilino]phenyl]phenyl]-9-phenylcarbazol-3-amine
SMILESFc1ccccc1-c1ccc(N(c2ccc(-c3ccc(N(c4ccc(-c5ccccc5F)cc4)c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)cc2)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1
InChIInChI=1S/C72H48F2N4/c73-67-23-11-7-19-61(67)51-31-39-57(40-32-51)75(59-43-45-71-65(47-59)63-21-9-13-25-69(63)77(71)53-15-3-1-4-16-53)55-35-27-49(28-36-55)50-29-37-56(38-30-50)76(58-41-33-52(34-42-58)62-20-8-12-24-68(62)74)60-44-46-72-66(48-60)64-22-10-14-26-70(64)78(72)54-17-5-2-6-18-54/h1-48H
InChIKeyOKOYAEUQFYARDR-UHFFFAOYSA-N
XLogP20.10
TPSA16.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001007.20
LogP ≤ 520.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-difluorophenyl)-N-[4-[4-(3,4-difluoro-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]-9-phenylcarbazol-3-amine
CID 59844914
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
1-N,1-N-diphenyl-3-N-(9-phenylcarbazol-3-yl)-3-N-[3-(N-[4-(2-phenylphenyl)phenyl]anilino)phenyl]benzene-1,3-diamine
CID 177275922
9-phenyl-N-(2-phenylphenyl)-N-[4-[4-(2-phenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine
CID 167019949
9-(2,4-difluorophenyl)-N-[4-[4-[N-[9-(2,4-difluorophenyl)carbazol-3-yl]-4-(2-fluorophenyl)anilino]phenyl]phenyl]-N-[4-(2-fluorophenyl)phenyl]carbazol-3-amine
CID 59844902
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

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-fluorophenyl)phenyl]-N-[4-[4-[4-(2-fluorophenyl)-N-(9-phenylcarbazol-3-yl)anilino]phenyl]phenyl]-9-phenylcarbazol-3-amine?
The IUPAC name of 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) is N-[4-(2-fluorophenyl)phenyl]-N-[4-[4-[4-(2-fluorophenyl)-N-(9-phenylcarbazol-3-yl)anilino]phenyl]phenyl]-9-phenylcarbazol-3-amine.
What is the SMILES notation for N-[4-(2-fluorophenyl)phenyl]-N-[4-[4-[4-(2-fluorophenyl)-N-(9-phenylcarbazol-3-yl)anilino]phenyl]phenyl]-9-phenylcarbazol-3-amine?
The canonical SMILES for N-[4-(2-fluorophenyl)phenyl]-N-[4-[4-[4-(2-fluorophenyl)-N-(9-phenylcarbazol-3-yl)anilino]phenyl]phenyl]-9-phenylcarbazol-3-amine is Fc1ccccc1-c1ccc(N(c2ccc(-c3ccc(N(c4ccc(-c5ccccc5F)cc4)c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)cc2)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1.
What is the InChIKey of N-[4-(2-fluorophenyl)phenyl]-N-[4-[4-[4-(2-fluorophenyl)-N-(9-phenylcarbazol-3-yl)anilino]phenyl]phenyl]-9-phenylcarbazol-3-amine?
The InChIKey is OKOYAEUQFYARDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H48F2N4/c73-67-23-11-7-19-61(67)51-31-39-57(40-32-51)75(59-43-45-71-65(47-59)63-21-9-13-25-69(63)77(71)53-15-3-1-4-16-53)55-35-27-49(28-36-55)50-29-37-56(38-30-50)76(58-41-33-52(34-42-58)62-20-8-12-24-68(62)74)60-44-46-72-66(48-60)64-22-10-14-26-70(64)78(72)54-17-5-2-6-18-54/h1-48H.
What are the key properties of N-[4-(2-fluorophenyl)phenyl]-N-[4-[4-[4-(2-fluorophenyl)-N-(9-phenylcarbazol-3-yl)anilino]phenyl]phenyl]-9-phenylcarbazol-3-amine?
N-[4-(2-fluorophenyl)phenyl]-N-[4-[4-[4-(2-fluorophenyl)-N-(9-phenylcarbazol-3-yl)anilino]phenyl]phenyl]-9-phenylcarbazol-3-amine has a molecular weight of 1007.20 g/mol, XLogP of 20.10, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-fluorophenyl)phenyl]-N-[4-[4-[4-(2-fluorophenyl)-N-(9-phenylcarbazol-3-yl)anilino]phenyl]phenyl]-9-phenylcarbazol-3-amine is sourced from PubChem (CID 59844901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).