N,N-diphenyl-9-[4-[3-[3-(N-phenylanilino)carbazol-9-yl]-4-pyridinyl]-3-pyridinyl]carbazol-3-amine

C58H40N6 — CID 122433898

IUPACN,N-diphenyl-9-[4-[3-[3-(N-phenylanilino)carbazol-9-yl]-4-pyridinyl]-3-pyridinyl]carbazol-3-amine
SMILESc1ccc(N(c2ccccc2)c2ccc3c(c2)c2ccccc2n3-c2cnccc2-c2ccncc2-n2c3ccccc3c3cc(N(c4ccccc4)c4ccccc4)ccc32)cc1
InChIInChI=1S/C58H40N6/c1-5-17-41(18-6-1)61(42-19-7-2-8-20-42)45-29-31-55-51(37-45)47-25-13-15-27-53(47)63(55)57-39-59-35-33-49(57)50-34-36-60-40-58(50)64-54-28-16-14-26-48(54)52-38-46(30-32-56(52)64)62(43-21-9-3-10-22-43)44-23-11-4-12-24-44/h1-40H
InChIKeyQIVFMXGHUVDHEW-UHFFFAOYSA-N
MW821.00 g/mol
LogP15.28
Rot. Bonds9

About N,N-diphenyl-9-[4-[3-[3-(N-phenylanilino)carbazol-9-yl]-4-pyridinyl]-3-pyridinyl]carbazol-3-amine

N,N-diphenyl-9-[4-[3-[3-(N-phenylanilino)carbazol-9-yl]-4-pyridinyl]-3-pyridinyl]carbazol-3-amine (PubChem CID 122433898) has the molecular formula C58H40N6 and a molecular weight of 821.00 g/mol. Its IUPAC name is N,N-diphenyl-9-[4-[3-[3-(N-phenylanilino)carbazol-9-yl]-4-pyridinyl]-3-pyridinyl]carbazol-3-amine.

Molecular Properties

Compound NameN,N-diphenyl-9-[4-[3-[3-(N-phenylanilino)carbazol-9-yl]-4-pyridinyl]-3-pyridinyl]carbazol-3-amine
PubChem CID122433898
Molecular FormulaC58H40N6
Molecular Weight821.00 g/mol
Exact Mass820.33
IUPAC NameN,N-diphenyl-9-[4-[3-[3-(N-phenylanilino)carbazol-9-yl]-4-pyridinyl]-3-pyridinyl]carbazol-3-amine
SMILESc1ccc(N(c2ccccc2)c2ccc3c(c2)c2ccccc2n3-c2cnccc2-c2ccncc2-n2c3ccccc3c3cc(N(c4ccccc4)c4ccccc4)ccc32)cc1
InChIInChI=1S/C58H40N6/c1-5-17-41(18-6-1)61(42-19-7-2-8-20-42)45-29-31-55-51(37-45)47-25-13-15-27-53(47)63(55)57-39-59-35-33-49(57)50-34-36-60-40-58(50)64-54-28-16-14-26-48(54)52-38-46(30-32-56(52)64)62(43-21-9-3-10-22-43)44-23-11-4-12-24-44/h1-40H
InChIKeyQIVFMXGHUVDHEW-UHFFFAOYSA-N
XLogP15.28
TPSA42.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500821.00
LogP ≤ 515.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-diphenyl-9-[8-[3-(N-phenylanilino)carbazol-9-yl]quinoxalin-5-yl]carbazol-3-amine
CID 140917952
N,N-diphenyl-9-(5-phenylpyrido[4,3-b]indol-8-yl)carbazol-3-amine
CID 90168082
9-(4-phenyl-3-pyridinyl)carbazole
CID 145009934
5-[4-[3,5-bis(pyrido[4,3-b]indol-5-yl)phenyl]phenyl]-N,N-diphenylpyrido[4,3-b]indol-8-amine
CID 135252593
9-[3-[3-methyl-4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]-5-[3-(N-phenylanilino)carbazol-9-yl]phenyl]-N,N-diphenylcarbazol-3-amine
CID 130354916
3-N-(9-naphthalen-1-ylcarbazol-3-yl)-1-N,1-N-diphenyl-3-N-[3-(N-phenylanilino)phenyl]benzene-1,3-diamine
CID 177275830
9-[6-(5,5-dimethylbenzo[b][1,7]naphthyridin-10-yl)-2-pyridinyl]-N,N-diphenylcarbazol-3-amine
CID 154589708
9-[2-carbazol-9-yl-6-(N-phenylanilino)phenyl]-N,N-diphenylcarbazol-3-amine
CID 90061420
N,N-diphenyl-9-(9-phenylcarbazol-3-yl)carbazol-3-amine
CID 90168095
N-phenyl-9-(9-phenylcarbazol-3-yl)-N-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazol-3-amine
CID 59365518
10-[3-(9-oxoacridin-10-yl)-5-[4-[8-(N-phenylanilino)pyrido[4,3-b]indol-5-yl]phenyl]phenyl]acridin-9-one
CID 130354253
N,N-diphenyl-9-[4-[7-[4-[3-(N-phenylanilino)carbazol-9-yl]phenyl]-1,10-phenanthrolin-4-yl]phenyl]carbazol-3-amine
CID 135252609

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-9-[4-[3-[3-(N-phenylanilino)carbazol-9-yl]-4-pyridinyl]-3-pyridinyl]carbazol-3-amine?
The IUPAC name of N,N-diphenyl-9-[4-[3-[3-(N-phenylanilino)carbazol-9-yl]-4-pyridinyl]-3-pyridinyl]carbazol-3-amine (CID 122433898) is N,N-diphenyl-9-[4-[3-[3-(N-phenylanilino)carbazol-9-yl]-4-pyridinyl]-3-pyridinyl]carbazol-3-amine.
What is the SMILES notation for N,N-diphenyl-9-[4-[3-[3-(N-phenylanilino)carbazol-9-yl]-4-pyridinyl]-3-pyridinyl]carbazol-3-amine?
The canonical SMILES for N,N-diphenyl-9-[4-[3-[3-(N-phenylanilino)carbazol-9-yl]-4-pyridinyl]-3-pyridinyl]carbazol-3-amine is c1ccc(N(c2ccccc2)c2ccc3c(c2)c2ccccc2n3-c2cnccc2-c2ccncc2-n2c3ccccc3c3cc(N(c4ccccc4)c4ccccc4)ccc32)cc1.
What is the InChIKey of N,N-diphenyl-9-[4-[3-[3-(N-phenylanilino)carbazol-9-yl]-4-pyridinyl]-3-pyridinyl]carbazol-3-amine?
The InChIKey is QIVFMXGHUVDHEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H40N6/c1-5-17-41(18-6-1)61(42-19-7-2-8-20-42)45-29-31-55-51(37-45)47-25-13-15-27-53(47)63(55)57-39-59-35-33-49(57)50-34-36-60-40-58(50)64-54-28-16-14-26-48(54)52-38-46(30-32-56(52)64)62(43-21-9-3-10-22-43)44-23-11-4-12-24-44/h1-40H.
What are the key properties of N,N-diphenyl-9-[4-[3-[3-(N-phenylanilino)carbazol-9-yl]-4-pyridinyl]-3-pyridinyl]carbazol-3-amine?
N,N-diphenyl-9-[4-[3-[3-(N-phenylanilino)carbazol-9-yl]-4-pyridinyl]-3-pyridinyl]carbazol-3-amine has a molecular weight of 821.00 g/mol, XLogP of 15.28, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-9-[4-[3-[3-(N-phenylanilino)carbazol-9-yl]-4-pyridinyl]-3-pyridinyl]carbazol-3-amine is sourced from PubChem (CID 122433898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).