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
SMILESCC1=CC=C(C=C1)N2C3=C(C=C(C=C3)N(C4=CC=C(C=C4)C)C5=CC=CC(=C5)N6C7=CC=CC=C7C8=C6C9=C(C=C8)C=CN9C1=CC=CC=C1)C1=CC=CC=C12
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
LogP13.80
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
SMILESCC1=CC=C(C=C1)N2C3=C(C=C(C=C3)N(C4=CC=C(C=C4)C)C5=CC=CC(=C5)N6C7=CC=CC=C7C8=C6C9=C(C=C8)C=CN9C1=CC=CC=C1)C1=CC=CC=C12
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
XLogP13.80
TPSA18.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms56
Complexity1300

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500718.90
LogP ≤ 513.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

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Related Compounds

7-Ethyl-7H-pyrrolo(2',1':6,1)pyrazino(2,3-c)carbazole
CID 341783
2-Methyl-9-[9-(2-methyl-beta-carboline-9-yl)nonyl]-beta-carboline-2-ium diiodide
CID 46223339
Mbq-167
CID 129896932
1-Methyl-9-[10-(1-methylpyrido[3,4-b]indol-9-yl)decyl]pyrido[3,4-b]indole
CID 71539326
1-Propan-2-yl-9-[10-(1-propan-2-ylpyrido[3,4-b]indol-9-yl)decyl]pyrido[3,4-b]indole
CID 71539686
3,4,5,6-Tetrakis(carbazol-9-yl)-1,2-dicyanobenzene
CID 101136487
2,3,5,6-Tetra-9H-carbazol-9-yl-1,4-benzenedicarbonitrile
CID 101136488
2,3,5,6-tetrakis(3,6-diphenyl-9H-carbazol-9-yl)terephthalonitrile
CID 101136489
4CzIPN
CID 102198498
2,4,5,6-Tetrakis(3,6-di-tert-butylcarbazol-9-yl)-1,3-dicyanobenzene
CID 102336775
9-(3-(9H-carbazol-9-yl)phenyl)-9H-3,9'-bicarbazole
CID 117957864
2,3,4,5,6-penta(9H-carbazol-9-yl)benzonitrile
CID 132839085

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 CC1=CC=C(C=C1)N2C3=C(C=C(C=C3)N(C4=CC=C(C=C4)C)C5=CC=CC(=C5)N6C7=CC=CC=C7C8=C6C9=C(C=C8)C=CN9C1=CC=CC=C1)C1=CC=CC=C12.
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 13.80, 6 rotatable bonds, 0 hydrogen bond donors, and 1 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).