N-[9-(4-methylphenyl)carbazol-3-yl]-N,1,10-triphenylpyrrolo[2,3-a]carbazol-7-amine

C51H36N4 — CID 118316091

IUPACN-[9-(4-methylphenyl)carbazol-3-yl]-N,1,10-triphenylpyrrolo[2,3-a]carbazol-7-amine
SMILESCc1ccc(-n2c3ccccc3c3cc(N(c4ccccc4)c4ccc5c(c4)c4ccc6ccn(-c7ccccc7)c6c4n5-c4ccccc4)ccc32)cc1
InChIInChI=1S/C51H36N4/c1-35-21-24-40(25-22-35)54-47-20-12-11-19-43(47)45-33-41(26-29-48(45)54)53(38-15-7-3-8-16-38)42-27-30-49-46(34-42)44-28-23-36-31-32-52(37-13-5-2-6-14-37)50(36)51(44)55(49)39-17-9-4-10-18-39/h2-34H,1H3
InChIKeyCUMRLZMVZIHNOO-UHFFFAOYSA-N
MW704.88 g/mol
LogP13.60
Rot. Bonds6

About N-[9-(4-methylphenyl)carbazol-3-yl]-N,1,10-triphenylpyrrolo[2,3-a]carbazol-7-amine

N-[9-(4-methylphenyl)carbazol-3-yl]-N,1,10-triphenylpyrrolo[2,3-a]carbazol-7-amine (PubChem CID 118316091) has the molecular formula C51H36N4 and a molecular weight of 704.88 g/mol. Its IUPAC name is N-[9-(4-methylphenyl)carbazol-3-yl]-N,1,10-triphenylpyrrolo[2,3-a]carbazol-7-amine.

Molecular Properties

Compound NameN-[9-(4-methylphenyl)carbazol-3-yl]-N,1,10-triphenylpyrrolo[2,3-a]carbazol-7-amine
PubChem CID118316091
Molecular FormulaC51H36N4
Molecular Weight704.88 g/mol
Exact Mass704.29
IUPAC NameN-[9-(4-methylphenyl)carbazol-3-yl]-N,1,10-triphenylpyrrolo[2,3-a]carbazol-7-amine
SMILESCc1ccc(-n2c3ccccc3c3cc(N(c4ccccc4)c4ccc5c(c4)c4ccc6ccn(-c7ccccc7)c6c4n5-c4ccccc4)ccc32)cc1
InChIInChI=1S/C51H36N4/c1-35-21-24-40(25-22-35)54-47-20-12-11-19-43(47)45-33-41(26-29-48(45)54)53(38-15-7-3-8-16-38)42-27-30-49-46(34-42)44-28-23-36-31-32-52(37-13-5-2-6-14-37)50(36)51(44)55(49)39-17-9-4-10-18-39/h2-34H,1H3
InChIKeyCUMRLZMVZIHNOO-UHFFFAOYSA-N
XLogP13.60
TPSA18.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500704.88
LogP ≤ 513.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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,9-bis(4-methylphenyl)-N-[3-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)phenyl]carbazol-3-amine
CID 118315166
N,1,10-triphenyl-N-(9-phenylcarbazol-3-yl)pyrrolo[2,3-a]carbazol-7-amine
CID 118316092
4-methyl-N-(4-methylphenyl)-N-[4-(1-phenylpyrrolo[3,2-c]carbazol-6-yl)phenyl]aniline
CID 118315359
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,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
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-diphenyl-N-[3-[3-(4-phenylphenyl)pyrrolo[3,2-a]carbazol-10-yl]phenyl]carbazol-3-amine
CID 118315481
N-(4-methylphenyl)-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine
CID 153303724

Frequently Asked Questions

What is the IUPAC name of N-[9-(4-methylphenyl)carbazol-3-yl]-N,1,10-triphenylpyrrolo[2,3-a]carbazol-7-amine?
The IUPAC name of N-[9-(4-methylphenyl)carbazol-3-yl]-N,1,10-triphenylpyrrolo[2,3-a]carbazol-7-amine (CID 118316091) is N-[9-(4-methylphenyl)carbazol-3-yl]-N,1,10-triphenylpyrrolo[2,3-a]carbazol-7-amine.
What is the SMILES notation for N-[9-(4-methylphenyl)carbazol-3-yl]-N,1,10-triphenylpyrrolo[2,3-a]carbazol-7-amine?
The canonical SMILES for N-[9-(4-methylphenyl)carbazol-3-yl]-N,1,10-triphenylpyrrolo[2,3-a]carbazol-7-amine is Cc1ccc(-n2c3ccccc3c3cc(N(c4ccccc4)c4ccc5c(c4)c4ccc6ccn(-c7ccccc7)c6c4n5-c4ccccc4)ccc32)cc1.
What is the InChIKey of N-[9-(4-methylphenyl)carbazol-3-yl]-N,1,10-triphenylpyrrolo[2,3-a]carbazol-7-amine?
The InChIKey is CUMRLZMVZIHNOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H36N4/c1-35-21-24-40(25-22-35)54-47-20-12-11-19-43(47)45-33-41(26-29-48(45)54)53(38-15-7-3-8-16-38)42-27-30-49-46(34-42)44-28-23-36-31-32-52(37-13-5-2-6-14-37)50(36)51(44)55(49)39-17-9-4-10-18-39/h2-34H,1H3.
What are the key properties of N-[9-(4-methylphenyl)carbazol-3-yl]-N,1,10-triphenylpyrrolo[2,3-a]carbazol-7-amine?
N-[9-(4-methylphenyl)carbazol-3-yl]-N,1,10-triphenylpyrrolo[2,3-a]carbazol-7-amine has a molecular weight of 704.88 g/mol, XLogP of 13.60, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[9-(4-methylphenyl)carbazol-3-yl]-N,1,10-triphenylpyrrolo[2,3-a]carbazol-7-amine is sourced from PubChem (CID 118316091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).