5-[4-[3,5-bis(pyrido[4,3-b]indol-5-yl)phenyl]phenyl]-N,N-diphenylpyrido[4,3-b]indol-8-amine

C57H37N7 — CID 135252593

IUPAC5-[4-[3,5-bis(pyrido[4,3-b]indol-5-yl)phenyl]phenyl]-N,N-diphenylpyrido[4,3-b]indol-8-amine
SMILESc1ccc(N(c2ccccc2)c2ccc3c(c2)c2cnccc2n3-c2ccc(-c3cc(-n4c5ccccc5c5cnccc54)cc(-n4c5ccccc5c5cnccc54)c3)cc2)cc1
InChIInChI=1S/C57H37N7/c1-3-11-40(12-4-1)61(41-13-5-2-6-14-41)43-23-24-54-48(34-43)51-37-60-30-27-57(51)62(54)42-21-19-38(20-22-42)39-31-44(63-52-17-9-7-15-46(52)49-35-58-28-25-55(49)63)33-45(32-39)64-53-18-10-8-16-47(53)50-36-59-29-26-56(50)64/h1-37H
InChIKeyKRKFPQZBVVPGES-UHFFFAOYSA-N
MW819.97 g/mol
LogP14.30
Rot. Bonds7

About 5-[4-[3,5-bis(pyrido[4,3-b]indol-5-yl)phenyl]phenyl]-N,N-diphenylpyrido[4,3-b]indol-8-amine

5-[4-[3,5-bis(pyrido[4,3-b]indol-5-yl)phenyl]phenyl]-N,N-diphenylpyrido[4,3-b]indol-8-amine (PubChem CID 135252593) has the molecular formula C57H37N7 and a molecular weight of 819.97 g/mol. Its IUPAC name is 5-[4-[3,5-bis(pyrido[4,3-b]indol-5-yl)phenyl]phenyl]-N,N-diphenylpyrido[4,3-b]indol-8-amine.

Molecular Properties

Compound Name5-[4-[3,5-bis(pyrido[4,3-b]indol-5-yl)phenyl]phenyl]-N,N-diphenylpyrido[4,3-b]indol-8-amine
PubChem CID135252593
Molecular FormulaC57H37N7
Molecular Weight819.97 g/mol
Exact Mass819.31
IUPAC Name5-[4-[3,5-bis(pyrido[4,3-b]indol-5-yl)phenyl]phenyl]-N,N-diphenylpyrido[4,3-b]indol-8-amine
SMILESc1ccc(N(c2ccccc2)c2ccc3c(c2)c2cnccc2n3-c2ccc(-c3cc(-n4c5ccccc5c5cnccc54)cc(-n4c5ccccc5c5cnccc54)c3)cc2)cc1
InChIInChI=1S/C57H37N7/c1-3-11-40(12-4-1)61(41-13-5-2-6-14-41)43-23-24-54-48(34-43)51-37-60-30-27-57(51)62(54)42-21-19-38(20-22-42)39-31-44(63-52-17-9-7-15-46(52)49-35-58-28-25-55(49)63)33-45(32-39)64-53-18-10-8-16-47(53)50-36-59-29-26-56(50)64/h1-37H
InChIKeyKRKFPQZBVVPGES-UHFFFAOYSA-N
XLogP14.30
TPSA56.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500819.97
LogP ≤ 514.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

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-(5-phenylpyrido[4,3-b]indol-8-yl)carbazol-3-amine
CID 90168082
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
N-(4-carbazol-9-ylphenyl)-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine
CID 129061469
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
5-[4-[4-(benzotriazol-1-yl)phenyl]phenyl]-N,N-diphenylpyrido[4,3-b]indol-8-amine
CID 135252617
5-[4-[3-(2,3,4,5,6-pentafluorophenyl)phenyl]phenyl]-N,N-diphenylpyrido[4,3-b]indol-8-amine
CID 130353095
1-[3-[4-[8-(N-phenylanilino)pyrido[4,3-b]indol-5-yl]phenyl]phenyl]quinolin-4-one
CID 130355082
N,N-diphenyl-9-[4-[3-[4-[3-(N-phenylanilino)carbazol-9-yl]phenyl]-5-pyrimidin-2-ylphenyl]phenyl]carbazol-3-amine
CID 130353343
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
2-[4-[4-[8-(N-phenylanilino)pyrido[4,3-b]indol-5-yl]phenyl]phenyl]benzonitrile
CID 135252561

Frequently Asked Questions

What is the IUPAC name of 5-[4-[3,5-bis(pyrido[4,3-b]indol-5-yl)phenyl]phenyl]-N,N-diphenylpyrido[4,3-b]indol-8-amine?
The IUPAC name of 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) is 5-[4-[3,5-bis(pyrido[4,3-b]indol-5-yl)phenyl]phenyl]-N,N-diphenylpyrido[4,3-b]indol-8-amine.
What is the SMILES notation for 5-[4-[3,5-bis(pyrido[4,3-b]indol-5-yl)phenyl]phenyl]-N,N-diphenylpyrido[4,3-b]indol-8-amine?
The canonical SMILES for 5-[4-[3,5-bis(pyrido[4,3-b]indol-5-yl)phenyl]phenyl]-N,N-diphenylpyrido[4,3-b]indol-8-amine is c1ccc(N(c2ccccc2)c2ccc3c(c2)c2cnccc2n3-c2ccc(-c3cc(-n4c5ccccc5c5cnccc54)cc(-n4c5ccccc5c5cnccc54)c3)cc2)cc1.
What is the InChIKey of 5-[4-[3,5-bis(pyrido[4,3-b]indol-5-yl)phenyl]phenyl]-N,N-diphenylpyrido[4,3-b]indol-8-amine?
The InChIKey is KRKFPQZBVVPGES-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H37N7/c1-3-11-40(12-4-1)61(41-13-5-2-6-14-41)43-23-24-54-48(34-43)51-37-60-30-27-57(51)62(54)42-21-19-38(20-22-42)39-31-44(63-52-17-9-7-15-46(52)49-35-58-28-25-55(49)63)33-45(32-39)64-53-18-10-8-16-47(53)50-36-59-29-26-56(50)64/h1-37H.
What are the key properties of 5-[4-[3,5-bis(pyrido[4,3-b]indol-5-yl)phenyl]phenyl]-N,N-diphenylpyrido[4,3-b]indol-8-amine?
5-[4-[3,5-bis(pyrido[4,3-b]indol-5-yl)phenyl]phenyl]-N,N-diphenylpyrido[4,3-b]indol-8-amine has a molecular weight of 819.97 g/mol, XLogP of 14.30, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[3,5-bis(pyrido[4,3-b]indol-5-yl)phenyl]phenyl]-N,N-diphenylpyrido[4,3-b]indol-8-amine is sourced from PubChem (CID 135252593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).