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

C114H74N6 — CID 158194801

IUPAC9-(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
SMILESc1ccc(-n2ccc3cc4c(cc32)c2ccccc2n4-c2c3ccccc3cc3ccccc23)cc1.c1ccc(-n2ccc3cc4c(cc32)c2ccccc2n4-c2ccc(-c3ccc4cc5ccccc5cc4c3)cc2)cc1.c1ccc(-n2ccc3cc4c(cc32)c2ccccc2n4-c2cccc(-c3ccc4cc5ccccc5cc4c3)c2)cc1
InChIInChI=1S/2C40H26N2.C34H22N2/c1-2-12-34(13-3-1)41-20-19-32-25-40-37(26-39(32)41)36-15-6-7-16-38(36)42(40)35-14-8-11-29(24-35)30-17-18-31-21-27-9-4-5-10-28(27)22-33(31)23-30;1-2-10-34(11-3-1)41-21-20-32-25-40-37(26-39(32)41)36-12-6-7-13-38(36)42(40)35-18-16-27(17-19-35)30-14-15-31-22-28-8-4-5-9-29(28)23-33(31)24-30;1-2-12-26(13-3-1)35-19-18-25-21-33-30(22-32(25)35)29-16-8-9-17-31(29)36(33)34-27-14-6-4-10-23(27)20-24-11-5-7-15-28(24)34/h2*1-26H;1-22H
InChIKeyGAFDZLXQPSHHCP-UHFFFAOYSA-N
MW1527.89 g/mol
LogP30.44
Rot. Bonds8

About 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

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 (PubChem CID 158194801) has the molecular formula C114H74N6 and a molecular weight of 1527.89 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9-(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
PubChem CID158194801
Molecular FormulaC114H74N6
Molecular Weight1527.89 g/mol
Exact Mass1526.60
IUPAC Name9-(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
SMILESc1ccc(-n2ccc3cc4c(cc32)c2ccccc2n4-c2c3ccccc3cc3ccccc23)cc1.c1ccc(-n2ccc3cc4c(cc32)c2ccccc2n4-c2ccc(-c3ccc4cc5ccccc5cc4c3)cc2)cc1.c1ccc(-n2ccc3cc4c(cc32)c2ccccc2n4-c2cccc(-c3ccc4cc5ccccc5cc4c3)c2)cc1
InChIInChI=1S/2C40H26N2.C34H22N2/c1-2-12-34(13-3-1)41-20-19-32-25-40-37(26-39(32)41)36-15-6-7-16-38(36)42(40)35-14-8-11-29(24-35)30-17-18-31-21-27-9-4-5-10-28(27)22-33(31)23-30;1-2-10-34(11-3-1)41-21-20-32-25-40-37(26-39(32)41)36-12-6-7-13-38(36)42(40)35-18-16-27(17-19-35)30-14-15-31-22-28-8-4-5-9-29(28)23-33(31)24-30;1-2-12-26(13-3-1)35-19-18-25-21-33-30(22-32(25)35)29-16-8-9-17-31(29)36(33)34-27-14-6-4-10-23(27)20-24-11-5-7-15-28(24)34/h2*1-26H;1-22H
InChIKeyGAFDZLXQPSHHCP-UHFFFAOYSA-N
XLogP30.44
TPSA29.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms120
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001527.89
LogP ≤ 530.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

3-phenyl-9-[4-(3-phenylcarbazol-9-yl)phenyl]pyrrolo[3,2-b]carbazole
CID 118315232
2-[9-(1-phenylindol-6-yl)carbazol-2-yl]-9-(3-phenylphenyl)carbazole
CID 130233154
18-phenyl-10-(3-pyridin-4-ylphenyl)-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 90222805
16-phenyl-10-(3-pyridin-4-ylphenyl)-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 90223553
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
11-(3-naphthalen-2-ylphenyl)-5-phenylindolo[3,2-b]carbazole
CID 167157338
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
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
10-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-16-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 90223606
23-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-10,19-diphenyl-10,19,23-triazahexacyclo[11.10.0.03,11.04,9.014,22.016,20]tricosa-1(13),2,4,6,8,11,14(22),15,17,20-decaene
CID 90267570
3-phenyl-9-(10-phenylanthracen-9-yl)pyrrolo[3,2-b]carbazole
CID 118315191
9-anthracen-9-yl-3-(4-carbazol-9-ylphenyl)-6-(9-phenylcarbazol-2-yl)carbazole
CID 118405055

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-n2ccc3cc4c(cc32)c2ccccc2n4-c2c3ccccc3cc3ccccc23)cc1.c1ccc(-n2ccc3cc4c(cc32)c2ccccc2n4-c2ccc(-c3ccc4cc5ccccc5cc4c3)cc2)cc1.c1ccc(-n2ccc3cc4c(cc32)c2ccccc2n4-c2cccc(-c3ccc4cc5ccccc5cc4c3)c2)cc1.
What is the InChIKey of 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?
The InChIKey is GAFDZLXQPSHHCP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C40H26N2.C34H22N2/c1-2-12-34(13-3-1)41-20-19-32-25-40-37(26-39(32)41)36-15-6-7-16-38(36)42(40)35-14-8-11-29(24-35)30-17-18-31-21-27-9-4-5-10-28(27)22-33(31)23-30;1-2-10-34(11-3-1)41-21-20-32-25-40-37(26-39(32)41)36-12-6-7-13-38(36)42(40)35-18-16-27(17-19-35)30-14-15-31-22-28-8-4-5-9-29(28)23-33(31)24-30;1-2-12-26(13-3-1)35-19-18-25-21-33-30(22-32(25)35)29-16-8-9-17-31(29)36(33)34-27-14-6-4-10-23(27)20-24-11-5-7-15-28(24)34/h2*1-26H;1-22H.
What are the key properties of 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?
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 has a molecular weight of 1527.89 g/mol, XLogP of 30.44, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158194801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).