3-phenyl-9-(10-phenylanthracen-9-yl)pyrrolo[3,2-b]carbazole

C40H26N2 — CID 118315191

IUPAC3-phenyl-9-(10-phenylanthracen-9-yl)pyrrolo[3,2-b]carbazole
SMILESc1ccc(-c2c3ccccc3c(-n3c4ccccc4c4cc5c(ccn5-c5ccccc5)cc43)c3ccccc23)cc1
InChIInChI=1S/C40H26N2/c1-3-13-27(14-4-1)39-31-18-7-9-20-33(31)40(34-21-10-8-19-32(34)39)42-36-22-12-11-17-30(36)35-26-37-28(25-38(35)42)23-24-41(37)29-15-5-2-6-16-29/h1-26H
InChIKeyZNGAIMWTBKYUNX-UHFFFAOYSA-N
MW534.66 g/mol
LogP10.70
Rot. Bonds3

About 3-phenyl-9-(10-phenylanthracen-9-yl)pyrrolo[3,2-b]carbazole

3-phenyl-9-(10-phenylanthracen-9-yl)pyrrolo[3,2-b]carbazole (PubChem CID 118315191) has the molecular formula C40H26N2 and a molecular weight of 534.66 g/mol. Its IUPAC name is 3-phenyl-9-(10-phenylanthracen-9-yl)pyrrolo[3,2-b]carbazole.

Molecular Properties

Compound Name3-phenyl-9-(10-phenylanthracen-9-yl)pyrrolo[3,2-b]carbazole
PubChem CID118315191
Molecular FormulaC40H26N2
Molecular Weight534.66 g/mol
Exact Mass534.21
IUPAC Name3-phenyl-9-(10-phenylanthracen-9-yl)pyrrolo[3,2-b]carbazole
SMILESc1ccc(-c2c3ccccc3c(-n3c4ccccc4c4cc5c(ccn5-c5ccccc5)cc43)c3ccccc23)cc1
InChIInChI=1S/C40H26N2/c1-3-13-27(14-4-1)39-31-18-7-9-20-33(31)40(34-21-10-8-19-32(34)39)42-36-22-12-11-17-30(36)35-26-37-28(25-38(35)42)23-24-41(37)29-15-5-2-6-16-29/h1-26H
InChIKeyZNGAIMWTBKYUNX-UHFFFAOYSA-N
XLogP10.70
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.66
LogP ≤ 510.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 3-phenyl-9-(10-phenylanthracen-9-yl)pyrrolo[3,2-b]carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-phenyl-9-[4-(3-phenylcarbazol-9-yl)phenyl]pyrrolo[3,2-b]carbazole
CID 118315232
10-(4-carbazol-9-ylphenyl)-18-phenyl-10,18-diazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1,3(11),4,6,8,12,14,16,19-nonaene
CID 90222800
N-[4-(10,17-diphenyl-10,17,23-triazahexacyclo[11.10.0.03,11.04,9.014,22.016,20]tricosa-1(13),2,4,6,8,11,14(22),15,18,20-decaen-23-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 90267289
9-(3-anthracen-2-ylphenyl)-3-phenylpyrrolo[3,2-b]carbazole;9-(4-anthracen-2-ylphenyl)-3-phenylpyrrolo[3,2-b]carbazole;9-anthracen-9-yl-3-phenylpyrrolo[3,2-b]carbazole
CID 158194801
3-phenyl-9-[6-(3-phenylpyrrolo[3,2-b]carbazol-9-yl)pyrimidin-4-yl]pyrrolo[3,2-b]carbazole
CID 90091160
3-(3-phenylpyrrolo[3,2-b]carbazol-9-yl)aniline
CID 90062777
9-(3-carbazol-9-ylphenyl)-1-phenylpyrrolo[2,3-b]carbazole
CID 118315081
9-phenyl-3-[9-(10-phenylanthracen-9-yl)carbazol-3-yl]carbazole
CID 168729215
9-(10-phenylanthracen-9-yl)-3-[9-(10-phenylanthracen-9-yl)carbazol-3-yl]carbazole
CID 168729209
16-(3,5-diphenylphenyl)-10-phenyl-10,16-diazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1,3(11),4,6,8,12,14,17,19-nonaene
CID 90223381
18-phenyl-10-(5-phenylpyrimidin-2-yl)-10,18-diazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1,3(11),4,6,8,12,14,16,19-nonaene
CID 90222785
3-phenyl-9-(6-phenyldibenzothiophen-4-yl)pyrrolo[3,2-b]carbazole
CID 118315209

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-9-(10-phenylanthracen-9-yl)pyrrolo[3,2-b]carbazole?
The IUPAC name of 3-phenyl-9-(10-phenylanthracen-9-yl)pyrrolo[3,2-b]carbazole (CID 118315191) is 3-phenyl-9-(10-phenylanthracen-9-yl)pyrrolo[3,2-b]carbazole.
What is the SMILES notation for 3-phenyl-9-(10-phenylanthracen-9-yl)pyrrolo[3,2-b]carbazole?
The canonical SMILES for 3-phenyl-9-(10-phenylanthracen-9-yl)pyrrolo[3,2-b]carbazole is c1ccc(-c2c3ccccc3c(-n3c4ccccc4c4cc5c(ccn5-c5ccccc5)cc43)c3ccccc23)cc1.
What is the InChIKey of 3-phenyl-9-(10-phenylanthracen-9-yl)pyrrolo[3,2-b]carbazole?
The InChIKey is ZNGAIMWTBKYUNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H26N2/c1-3-13-27(14-4-1)39-31-18-7-9-20-33(31)40(34-21-10-8-19-32(34)39)42-36-22-12-11-17-30(36)35-26-37-28(25-38(35)42)23-24-41(37)29-15-5-2-6-16-29/h1-26H.
What are the key properties of 3-phenyl-9-(10-phenylanthracen-9-yl)pyrrolo[3,2-b]carbazole?
3-phenyl-9-(10-phenylanthracen-9-yl)pyrrolo[3,2-b]carbazole has a molecular weight of 534.66 g/mol, XLogP of 10.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-9-(10-phenylanthracen-9-yl)pyrrolo[3,2-b]carbazole is sourced from PubChem (CID 118315191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).