N,9-bis(4-methylphenyl)-N-[3-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)phenyl]carbazol-3-amine

C52H38N4 — CID 118315166

IUPACN,9-bis(4-methylphenyl)-N-[3-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)phenyl]carbazol-3-amine
SMILESCc1ccc(N(c2cccc(-n3c4ccccc4c4ccc5ccn(-c6ccccc6)c5c43)c2)c2ccc3c(c2)c2ccccc2n3-c2ccc(C)cc2)cc1
InChIInChI=1S/C52H38N4/c1-35-19-24-39(25-20-35)54(43-28-30-50-47(34-43)45-16-7-8-17-48(45)55(50)40-26-21-36(2)22-27-40)41-13-10-14-42(33-41)56-49-18-9-6-15-44(49)46-29-23-37-31-32-53(51(37)52(46)56)38-11-4-3-5-12-38/h3-34H,1-2H3
InChIKeyUTDPOVKYLFACFY-UHFFFAOYSA-N
MW718.90 g/mol
LogP13.91
Rot. Bonds6

About N,9-bis(4-methylphenyl)-N-[3-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)phenyl]carbazol-3-amine

N,9-bis(4-methylphenyl)-N-[3-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)phenyl]carbazol-3-amine (PubChem CID 118315166) has the molecular formula C52H38N4 and a molecular weight of 718.90 g/mol. Its IUPAC name is N,9-bis(4-methylphenyl)-N-[3-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)phenyl]carbazol-3-amine.

Molecular Properties

Compound NameN,9-bis(4-methylphenyl)-N-[3-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)phenyl]carbazol-3-amine
PubChem CID118315166
Molecular FormulaC52H38N4
Molecular Weight718.90 g/mol
Exact Mass718.31
IUPAC NameN,9-bis(4-methylphenyl)-N-[3-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)phenyl]carbazol-3-amine
SMILESCc1ccc(N(c2cccc(-n3c4ccccc4c4ccc5ccn(-c6ccccc6)c5c43)c2)c2ccc3c(c2)c2ccccc2n3-c2ccc(C)cc2)cc1
InChIInChI=1S/C52H38N4/c1-35-19-24-39(25-20-35)54(43-28-30-50-47(34-43)45-16-7-8-17-48(45)55(50)40-26-21-36(2)22-27-40)41-13-10-14-42(33-41)56-49-18-9-6-15-44(49)46-29-23-37-31-32-53(51(37)52(46)56)38-11-4-3-5-12-38/h3-34H,1-2H3
InChIKeyUTDPOVKYLFACFY-UHFFFAOYSA-N
XLogP13.91
TPSA18.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500718.90
LogP ≤ 513.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[9-(4-methylphenyl)carbazol-3-yl]-N,1,10-triphenylpyrrolo[2,3-a]carbazol-7-amine
CID 118316091
9-(4-methylphenyl)-N-phenyl-N-[4-(10-phenylpyrrolo[2,3-a]carbazol-1-yl)phenyl]carbazol-3-amine
CID 118316037
9-(4-methylphenyl)-N-phenyl-N-[4-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)phenyl]carbazol-3-amine
CID 118315164
N,1,10-triphenyl-N-(9-phenylcarbazol-3-yl)pyrrolo[2,3-a]carbazol-7-amine
CID 118316092
N,N-diphenyl-3-(10-phenylpyrrolo[3,2-a]carbazol-3-yl)aniline;N,N-diphenyl-4-(10-phenylpyrrolo[3,2-a]carbazol-3-yl)aniline;4-methyl-N-(4-methylphenyl)-N-[4-(10-phenylpyrrolo[3,2-a]carbazol-3-yl)phenyl]aniline
CID 160601602
4-methyl-N-(4-methylphenyl)-N-[4-(1-phenylpyrrolo[3,2-c]carbazol-6-yl)phenyl]aniline
CID 118315359
N,9-diphenyl-N-[3-[3-(4-phenylphenyl)pyrrolo[3,2-a]carbazol-10-yl]phenyl]carbazol-3-amine
CID 118315481
N-[4-(1,3-diphenylpyrrolo[2,3-a]carbazol-10-yl)phenyl]-N,9-bis(4-methylphenyl)carbazol-3-amine
CID 118315805
5,8-bis(4-carbazol-9-ylphenyl)-5,8-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),2(6),3,7(11),9,12,14-heptaene;9-[4-[1-(4-carbazol-9-ylphenyl)pyrrolo[3,2-g]indol-8-yl]phenyl]carbazole;N,N-diphenyl-4-[8-[4-(N-phenylanilino)phenyl]-5,8-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),2(6),3,7(11),9,12,14-heptaen-5-yl]aniline;N,N-diphenyl-4-[1-[4-(N-phenylanilino)phenyl]pyrrolo[3,2-g]indol-8-yl]aniline
CID 161495857
N-(4-methylphenyl)-N,9-diphenylcarbazol-3-amine
CID 90181897
9-(4-methylphenyl)-N-phenyl-N-[4-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]carbazol-3-amine
CID 118315327
N,9-bis(4-tert-butylphenyl)-N-[3-(10-phenylpyrrolo[2,3-a]carbazol-1-yl)phenyl]carbazol-3-amine;3,10-diphenyl-7-triphenylen-2-ylpyrrolo[3,2-a]carbazole;(4-methylphenyl)-(10-phenylpyrrolo[2,3-a]carbazol-1-yl)methanone
CID 160567331

Frequently Asked Questions

What is the IUPAC name of N,9-bis(4-methylphenyl)-N-[3-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)phenyl]carbazol-3-amine?
The IUPAC name of N,9-bis(4-methylphenyl)-N-[3-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)phenyl]carbazol-3-amine (CID 118315166) is N,9-bis(4-methylphenyl)-N-[3-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)phenyl]carbazol-3-amine.
What is the SMILES notation for N,9-bis(4-methylphenyl)-N-[3-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)phenyl]carbazol-3-amine?
The canonical SMILES for N,9-bis(4-methylphenyl)-N-[3-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)phenyl]carbazol-3-amine is Cc1ccc(N(c2cccc(-n3c4ccccc4c4ccc5ccn(-c6ccccc6)c5c43)c2)c2ccc3c(c2)c2ccccc2n3-c2ccc(C)cc2)cc1.
What is the InChIKey of N,9-bis(4-methylphenyl)-N-[3-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)phenyl]carbazol-3-amine?
The InChIKey is UTDPOVKYLFACFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H38N4/c1-35-19-24-39(25-20-35)54(43-28-30-50-47(34-43)45-16-7-8-17-48(45)55(50)40-26-21-36(2)22-27-40)41-13-10-14-42(33-41)56-49-18-9-6-15-44(49)46-29-23-37-31-32-53(51(37)52(46)56)38-11-4-3-5-12-38/h3-34H,1-2H3.
What are the key properties of N,9-bis(4-methylphenyl)-N-[3-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)phenyl]carbazol-3-amine?
N,9-bis(4-methylphenyl)-N-[3-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)phenyl]carbazol-3-amine has a molecular weight of 718.90 g/mol, XLogP of 13.91, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,9-bis(4-methylphenyl)-N-[3-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)phenyl]carbazol-3-amine is sourced from PubChem (CID 118315166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).