9-phenanthren-2-yl-1-phenylpyrrolo[2,3-b]carbazole

C34H22N2 — CID 118315026

IUPAC9-phenanthren-2-yl-1-phenylpyrrolo[2,3-b]carbazole
SMILESc1ccc(-n2ccc3cc4c5ccccc5n(-c5ccc6c(ccc7ccccc76)c5)c4cc32)cc1
InChIInChI=1S/C34H22N2/c1-2-9-26(10-3-1)35-19-18-25-21-31-30-12-6-7-13-32(30)36(34(31)22-33(25)35)27-16-17-29-24(20-27)15-14-23-8-4-5-11-28(23)29/h1-22H
InChIKeyGQCCXJDFJDKLIH-UHFFFAOYSA-N
MW458.56 g/mol
LogP9.03
Rot. Bonds2

About 9-phenanthren-2-yl-1-phenylpyrrolo[2,3-b]carbazole

9-phenanthren-2-yl-1-phenylpyrrolo[2,3-b]carbazole (PubChem CID 118315026) has the molecular formula C34H22N2 and a molecular weight of 458.56 g/mol. Its IUPAC name is 9-phenanthren-2-yl-1-phenylpyrrolo[2,3-b]carbazole.

Molecular Properties

Compound Name9-phenanthren-2-yl-1-phenylpyrrolo[2,3-b]carbazole
PubChem CID118315026
Molecular FormulaC34H22N2
Molecular Weight458.56 g/mol
Exact Mass458.18
IUPAC Name9-phenanthren-2-yl-1-phenylpyrrolo[2,3-b]carbazole
SMILESc1ccc(-n2ccc3cc4c5ccccc5n(-c5ccc6c(ccc7ccccc76)c5)c4cc32)cc1
InChIInChI=1S/C34H22N2/c1-2-9-26(10-3-1)35-19-18-25-21-31-30-12-6-7-13-32(30)36(34(31)22-33(25)35)27-16-17-29-24(20-27)15-14-23-8-4-5-11-28(23)29/h1-22H
InChIKeyGQCCXJDFJDKLIH-UHFFFAOYSA-N
XLogP9.03
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.56
LogP ≤ 59.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

11-(4-carbazol-9-ylphenyl)-7-phenyl-7,11-diazapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2(10),3,5,8,13,15,17,19-nonaene
CID 123940572
9-(3-carbazol-9-ylphenyl)-1-phenylpyrrolo[2,3-b]carbazole
CID 118315081
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
7-(4-carbazol-9-ylphenyl)-5-phenanthren-2-ylindolo[2,3-b]carbazole
CID 134168535
1-phenyl-9-(7-phenyltriphenylen-2-yl)pyrrolo[2,3-b]carbazole
CID 118315018
7-phenyl-20-(9-phenylcarbazol-3-yl)-7,20-diazapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(13),2(10),3,5,8,11,14,16,18-nonaene
CID 90223118
5-(3-carbazol-9-ylphenyl)-11-phenanthren-2-ylindolo[3,2-b]carbazole
CID 134168708
phenyl-[4-(1-phenylpyrrolo[2,3-b]carbazol-9-yl)phenyl]methanone
CID 118315065
14-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,18-diphenyl-10,14,18-triazahexacyclo[11.10.0.03,11.04,9.015,23.017,21]tricosa-1(13),2,4,6,8,11,15(23),16,19,21-decaene
CID 90267307
2-[9-(1-phenylindol-6-yl)carbazol-2-yl]-9-(3-phenylphenyl)carbazole
CID 130233154
3-bromo-9-(1-phenylindol-6-yl)carbazole
CID 122666252
3-(3-phenylpyrrolo[3,2-b]carbazol-9-yl)aniline
CID 90062777

Frequently Asked Questions

What is the IUPAC name of 9-phenanthren-2-yl-1-phenylpyrrolo[2,3-b]carbazole?
The IUPAC name of 9-phenanthren-2-yl-1-phenylpyrrolo[2,3-b]carbazole (CID 118315026) is 9-phenanthren-2-yl-1-phenylpyrrolo[2,3-b]carbazole.
What is the SMILES notation for 9-phenanthren-2-yl-1-phenylpyrrolo[2,3-b]carbazole?
The canonical SMILES for 9-phenanthren-2-yl-1-phenylpyrrolo[2,3-b]carbazole is c1ccc(-n2ccc3cc4c5ccccc5n(-c5ccc6c(ccc7ccccc76)c5)c4cc32)cc1.
What is the InChIKey of 9-phenanthren-2-yl-1-phenylpyrrolo[2,3-b]carbazole?
The InChIKey is GQCCXJDFJDKLIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H22N2/c1-2-9-26(10-3-1)35-19-18-25-21-31-30-12-6-7-13-32(30)36(34(31)22-33(25)35)27-16-17-29-24(20-27)15-14-23-8-4-5-11-28(23)29/h1-22H.
What are the key properties of 9-phenanthren-2-yl-1-phenylpyrrolo[2,3-b]carbazole?
9-phenanthren-2-yl-1-phenylpyrrolo[2,3-b]carbazole has a molecular weight of 458.56 g/mol, XLogP of 9.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenanthren-2-yl-1-phenylpyrrolo[2,3-b]carbazole is sourced from PubChem (CID 118315026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).