6-anthracen-2-yl-3-phenylpyrrolo[2,3-c]carbazole;3-phenyl-6-(3-pyren-1-ylphenyl)pyrrolo[2,3-c]carbazole;3-phenyl-6-(4-pyren-1-ylphenyl)pyrrolo[2,3-c]carbazole

C118H74N6 — CID 161247563

IUPAC6-anthracen-2-yl-3-phenylpyrrolo[2,3-c]carbazole;3-phenyl-6-(3-pyren-1-ylphenyl)pyrrolo[2,3-c]carbazole;3-phenyl-6-(4-pyren-1-ylphenyl)pyrrolo[2,3-c]carbazole
SMILESc1ccc(-n2ccc3c4c5ccccc5n(-c5ccc(-c6ccc7ccc8cccc9ccc6c7c89)cc5)c4ccc32)cc1.c1ccc(-n2ccc3c4c5ccccc5n(-c5ccc6cc7ccccc7cc6c5)c4ccc32)cc1.c1ccc(-n2ccc3c4c5ccccc5n(-c5cccc(-c6ccc7ccc8cccc9ccc6c7c89)c5)c4ccc32)cc1
InChIInChI=1S/2C42H26N2.C34H22N2/c1-2-11-31(12-3-1)43-25-24-36-37(43)22-23-39-42(36)35-14-4-5-15-38(35)44(39)32-13-7-10-30(26-32)33-20-18-29-17-16-27-8-6-9-28-19-21-34(33)41(29)40(27)28;1-2-9-31(10-3-1)43-26-25-36-37(43)23-24-39-42(36)35-11-4-5-12-38(35)44(39)32-19-15-27(16-20-32)33-21-17-30-14-13-28-7-6-8-29-18-22-34(33)41(30)40(28)29;1-2-10-27(11-3-1)35-19-18-30-31(35)16-17-33-34(30)29-12-6-7-13-32(29)36(33)28-15-14-25-20-23-8-4-5-9-24(23)21-26(25)22-28/h2*1-26H;1-22H
InChIKeyVAVLIKUEMTUXGZ-UHFFFAOYSA-N
MW1575.93 g/mol
LogP31.62
Rot. Bonds8

About 6-anthracen-2-yl-3-phenylpyrrolo[2,3-c]carbazole;3-phenyl-6-(3-pyren-1-ylphenyl)pyrrolo[2,3-c]carbazole;3-phenyl-6-(4-pyren-1-ylphenyl)pyrrolo[2,3-c]carbazole

6-anthracen-2-yl-3-phenylpyrrolo[2,3-c]carbazole;3-phenyl-6-(3-pyren-1-ylphenyl)pyrrolo[2,3-c]carbazole;3-phenyl-6-(4-pyren-1-ylphenyl)pyrrolo[2,3-c]carbazole (PubChem CID 161247563) has the molecular formula C118H74N6 and a molecular weight of 1575.93 g/mol. Its IUPAC name is 6-anthracen-2-yl-3-phenylpyrrolo[2,3-c]carbazole;3-phenyl-6-(3-pyren-1-ylphenyl)pyrrolo[2,3-c]carbazole;3-phenyl-6-(4-pyren-1-ylphenyl)pyrrolo[2,3-c]carbazole.

Molecular Properties

Compound Name6-anthracen-2-yl-3-phenylpyrrolo[2,3-c]carbazole;3-phenyl-6-(3-pyren-1-ylphenyl)pyrrolo[2,3-c]carbazole;3-phenyl-6-(4-pyren-1-ylphenyl)pyrrolo[2,3-c]carbazole
PubChem CID161247563
Molecular FormulaC118H74N6
Molecular Weight1575.93 g/mol
Exact Mass1574.60
IUPAC Name6-anthracen-2-yl-3-phenylpyrrolo[2,3-c]carbazole;3-phenyl-6-(3-pyren-1-ylphenyl)pyrrolo[2,3-c]carbazole;3-phenyl-6-(4-pyren-1-ylphenyl)pyrrolo[2,3-c]carbazole
SMILESc1ccc(-n2ccc3c4c5ccccc5n(-c5ccc(-c6ccc7ccc8cccc9ccc6c7c89)cc5)c4ccc32)cc1.c1ccc(-n2ccc3c4c5ccccc5n(-c5ccc6cc7ccccc7cc6c5)c4ccc32)cc1.c1ccc(-n2ccc3c4c5ccccc5n(-c5cccc(-c6ccc7ccc8cccc9ccc6c7c89)c5)c4ccc32)cc1
InChIInChI=1S/2C42H26N2.C34H22N2/c1-2-11-31(12-3-1)43-25-24-36-37(43)22-23-39-42(36)35-14-4-5-15-38(35)44(39)32-13-7-10-30(26-32)33-20-18-29-17-16-27-8-6-9-28-19-21-34(33)41(29)40(27)28;1-2-9-31(10-3-1)43-26-25-36-37(43)23-24-39-42(36)35-11-4-5-12-38(35)44(39)32-19-15-27(16-20-32)33-21-17-30-14-13-28-7-6-8-29-18-22-34(33)41(30)40(28)29;1-2-10-27(11-3-1)35-19-18-30-31(35)16-17-33-34(30)29-12-6-7-13-32(29)36(33)28-15-14-25-20-23-8-4-5-9-24(23)21-26(25)22-28/h2*1-26H;1-22H
InChIKeyVAVLIKUEMTUXGZ-UHFFFAOYSA-N
XLogP31.62
TPSA29.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms124
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001575.93
LogP ≤ 531.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

6-anthracen-2-yl-3-phenylpyrrolo[2,3-c]carbazole
CID 118315266
3-phenyl-10-(4-pyren-1-ylphenyl)pyrrolo[3,2-a]carbazole
CID 118314953
9-[3-[6-(4-methylphenyl)pyren-1-yl]phenyl]carbazole;9-[4-(8-naphthalen-2-ylpyren-1-yl)phenyl]carbazole;9-[3-(6-phenylpyren-1-yl)phenyl]carbazole
CID 160792996
3-phenyl-6-(3-triphenylen-2-ylphenyl)pyrrolo[2,3-c]carbazole
CID 118315256
9-[3-[6-(3-carbazol-9-ylphenyl)pyren-1-yl]phenyl]carbazole
CID 172537457
3-phenyl-6-[4-(2-phenylcarbazol-9-yl)phenyl]pyrrolo[2,3-c]carbazole
CID 118315311
1,2-diphenyl-10-(3-pyren-1-ylphenyl)pyrrolo[2,3-a]carbazole;1,2-diphenyl-10-(4-pyren-1-ylphenyl)pyrrolo[2,3-a]carbazole;1,2-diphenyl-10-pyren-1-ylpyrrolo[2,3-a]carbazole;10-(3-phenanthren-9-ylphenyl)-1,2-diphenylpyrrolo[2,3-a]carbazole
CID 159678005
6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenylpyrrolo[2,3-c]carbazole
CID 90130563
9-(3-naphthalen-1-ylphenyl)-14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(3-naphthalen-2-ylphenyl)-14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(4-naphthalen-2-ylphenyl)-14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(4-phenylnaphthalen-1-yl)-14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 163997723
9-[3-[3,8-bis(3-carbazol-9-ylphenyl)pyren-1-yl]phenyl]carbazole;9-[4-[3,8-bis(4-carbazol-9-ylphenyl)pyren-1-yl]phenyl]carbazole;9-[3-[6-(3-carbazol-9-ylphenyl)-3-naphthalen-1-ylpyren-1-yl]phenyl]carbazole
CID 158821382
25-(3-carbazol-9-ylphenyl)-10-(4-phenylphenyl)-10,25-diazaheptacyclo[15.11.0.02,14.03,11.04,9.018,26.019,24]octacosa-1(17),2(14),3(11),4,6,8,12,15,18(26),19,21,23,27-tridecaene
CID 142289804
6-[3-(3,6-diphenylcarbazol-9-yl)-5-phenylphenyl]-3-phenylpyrrolo[2,3-c]carbazole;6-[3-(3,6-diphenylcarbazol-9-yl)phenyl]-3-phenylpyrrolo[2,3-c]carbazole
CID 160506334

Frequently Asked Questions

What is the IUPAC name of 6-anthracen-2-yl-3-phenylpyrrolo[2,3-c]carbazole;3-phenyl-6-(3-pyren-1-ylphenyl)pyrrolo[2,3-c]carbazole;3-phenyl-6-(4-pyren-1-ylphenyl)pyrrolo[2,3-c]carbazole?
The IUPAC name of 6-anthracen-2-yl-3-phenylpyrrolo[2,3-c]carbazole;3-phenyl-6-(3-pyren-1-ylphenyl)pyrrolo[2,3-c]carbazole;3-phenyl-6-(4-pyren-1-ylphenyl)pyrrolo[2,3-c]carbazole (CID 161247563) is 6-anthracen-2-yl-3-phenylpyrrolo[2,3-c]carbazole;3-phenyl-6-(3-pyren-1-ylphenyl)pyrrolo[2,3-c]carbazole;3-phenyl-6-(4-pyren-1-ylphenyl)pyrrolo[2,3-c]carbazole.
What is the SMILES notation for 6-anthracen-2-yl-3-phenylpyrrolo[2,3-c]carbazole;3-phenyl-6-(3-pyren-1-ylphenyl)pyrrolo[2,3-c]carbazole;3-phenyl-6-(4-pyren-1-ylphenyl)pyrrolo[2,3-c]carbazole?
The canonical SMILES for 6-anthracen-2-yl-3-phenylpyrrolo[2,3-c]carbazole;3-phenyl-6-(3-pyren-1-ylphenyl)pyrrolo[2,3-c]carbazole;3-phenyl-6-(4-pyren-1-ylphenyl)pyrrolo[2,3-c]carbazole is c1ccc(-n2ccc3c4c5ccccc5n(-c5ccc(-c6ccc7ccc8cccc9ccc6c7c89)cc5)c4ccc32)cc1.c1ccc(-n2ccc3c4c5ccccc5n(-c5ccc6cc7ccccc7cc6c5)c4ccc32)cc1.c1ccc(-n2ccc3c4c5ccccc5n(-c5cccc(-c6ccc7ccc8cccc9ccc6c7c89)c5)c4ccc32)cc1.
What is the InChIKey of 6-anthracen-2-yl-3-phenylpyrrolo[2,3-c]carbazole;3-phenyl-6-(3-pyren-1-ylphenyl)pyrrolo[2,3-c]carbazole;3-phenyl-6-(4-pyren-1-ylphenyl)pyrrolo[2,3-c]carbazole?
The InChIKey is VAVLIKUEMTUXGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C42H26N2.C34H22N2/c1-2-11-31(12-3-1)43-25-24-36-37(43)22-23-39-42(36)35-14-4-5-15-38(35)44(39)32-13-7-10-30(26-32)33-20-18-29-17-16-27-8-6-9-28-19-21-34(33)41(29)40(27)28;1-2-9-31(10-3-1)43-26-25-36-37(43)23-24-39-42(36)35-11-4-5-12-38(35)44(39)32-19-15-27(16-20-32)33-21-17-30-14-13-28-7-6-8-29-18-22-34(33)41(30)40(28)29;1-2-10-27(11-3-1)35-19-18-30-31(35)16-17-33-34(30)29-12-6-7-13-32(29)36(33)28-15-14-25-20-23-8-4-5-9-24(23)21-26(25)22-28/h2*1-26H;1-22H.
What are the key properties of 6-anthracen-2-yl-3-phenylpyrrolo[2,3-c]carbazole;3-phenyl-6-(3-pyren-1-ylphenyl)pyrrolo[2,3-c]carbazole;3-phenyl-6-(4-pyren-1-ylphenyl)pyrrolo[2,3-c]carbazole?
6-anthracen-2-yl-3-phenylpyrrolo[2,3-c]carbazole;3-phenyl-6-(3-pyren-1-ylphenyl)pyrrolo[2,3-c]carbazole;3-phenyl-6-(4-pyren-1-ylphenyl)pyrrolo[2,3-c]carbazole has a molecular weight of 1575.93 g/mol, XLogP of 31.62, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-anthracen-2-yl-3-phenylpyrrolo[2,3-c]carbazole;3-phenyl-6-(3-pyren-1-ylphenyl)pyrrolo[2,3-c]carbazole;3-phenyl-6-(4-pyren-1-ylphenyl)pyrrolo[2,3-c]carbazole is sourced from PubChem (CID 161247563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).