2,3-diphenyl-10-pyren-1-ylpyrrolo[3,2-a]carbazole;10-(3-phenanthren-9-ylphenyl)-2,3-diphenylpyrrolo[3,2-a]carbazole;10-(4-phenanthren-9-ylphenyl)-2,3-diphenylpyrrolo[3,2-a]carbazole

C134H86N6 — CID 158419634

IUPAC2,3-diphenyl-10-pyren-1-ylpyrrolo[3,2-a]carbazole;10-(3-phenanthren-9-ylphenyl)-2,3-diphenylpyrrolo[3,2-a]carbazole;10-(4-phenanthren-9-ylphenyl)-2,3-diphenylpyrrolo[3,2-a]carbazole
SMILESc1ccc(-c2cc3c(ccc4c5ccccc5n(-c5ccc(-c6cc7ccccc7c7ccccc67)cc5)c43)n2-c2ccccc2)cc1.c1ccc(-c2cc3c(ccc4c5ccccc5n(-c5ccc6ccc7cccc8ccc5c6c78)c43)n2-c2ccccc2)cc1.c1ccc(-c2cc3c(ccc4c5ccccc5n(-c5cccc(-c6cc7ccccc7c7ccccc67)c5)c43)n2-c2ccccc2)cc1
InChIInChI=1S/2C46H30N2.C42H26N2/c1-3-14-31(15-4-1)45-30-42-44(47(45)34-18-5-2-6-19-34)27-26-40-39-24-11-12-25-43(39)48(46(40)42)35-20-13-17-32(28-35)41-29-33-16-7-8-21-36(33)37-22-9-10-23-38(37)41;1-3-13-32(14-4-1)45-30-42-44(47(45)34-16-5-2-6-17-34)28-27-40-39-21-11-12-22-43(39)48(46(40)42)35-25-23-31(24-26-35)41-29-33-15-7-8-18-36(33)37-19-9-10-20-38(37)41;1-3-10-27(11-4-1)39-26-35-38(43(39)31-14-5-2-6-15-31)25-23-33-32-16-7-8-17-36(32)44(42(33)35)37-24-21-30-19-18-28-12-9-13-29-20-22-34(37)41(30)40(28)29/h2*1-30H;1-26H
InChIKeyHAIICVAEICPYOB-UHFFFAOYSA-N
MW1780.20 g/mol
LogP36.03
Rot. Bonds11

About 2,3-diphenyl-10-pyren-1-ylpyrrolo[3,2-a]carbazole;10-(3-phenanthren-9-ylphenyl)-2,3-diphenylpyrrolo[3,2-a]carbazole;10-(4-phenanthren-9-ylphenyl)-2,3-diphenylpyrrolo[3,2-a]carbazole

2,3-diphenyl-10-pyren-1-ylpyrrolo[3,2-a]carbazole;10-(3-phenanthren-9-ylphenyl)-2,3-diphenylpyrrolo[3,2-a]carbazole;10-(4-phenanthren-9-ylphenyl)-2,3-diphenylpyrrolo[3,2-a]carbazole (PubChem CID 158419634) has the molecular formula C134H86N6 and a molecular weight of 1780.20 g/mol. Its IUPAC name is 2,3-diphenyl-10-pyren-1-ylpyrrolo[3,2-a]carbazole;10-(3-phenanthren-9-ylphenyl)-2,3-diphenylpyrrolo[3,2-a]carbazole;10-(4-phenanthren-9-ylphenyl)-2,3-diphenylpyrrolo[3,2-a]carbazole.

Molecular Properties

Compound Name2,3-diphenyl-10-pyren-1-ylpyrrolo[3,2-a]carbazole;10-(3-phenanthren-9-ylphenyl)-2,3-diphenylpyrrolo[3,2-a]carbazole;10-(4-phenanthren-9-ylphenyl)-2,3-diphenylpyrrolo[3,2-a]carbazole
PubChem CID158419634
Molecular FormulaC134H86N6
Molecular Weight1780.20 g/mol
Exact Mass1778.69
IUPAC Name2,3-diphenyl-10-pyren-1-ylpyrrolo[3,2-a]carbazole;10-(3-phenanthren-9-ylphenyl)-2,3-diphenylpyrrolo[3,2-a]carbazole;10-(4-phenanthren-9-ylphenyl)-2,3-diphenylpyrrolo[3,2-a]carbazole
SMILESc1ccc(-c2cc3c(ccc4c5ccccc5n(-c5ccc(-c6cc7ccccc7c7ccccc67)cc5)c43)n2-c2ccccc2)cc1.c1ccc(-c2cc3c(ccc4c5ccccc5n(-c5ccc6ccc7cccc8ccc5c6c78)c43)n2-c2ccccc2)cc1.c1ccc(-c2cc3c(ccc4c5ccccc5n(-c5cccc(-c6cc7ccccc7c7ccccc67)c5)c43)n2-c2ccccc2)cc1
InChIInChI=1S/2C46H30N2.C42H26N2/c1-3-14-31(15-4-1)45-30-42-44(47(45)34-18-5-2-6-19-34)27-26-40-39-24-11-12-25-43(39)48(46(40)42)35-20-13-17-32(28-35)41-29-33-16-7-8-21-36(33)37-22-9-10-23-38(37)41;1-3-13-32(14-4-1)45-30-42-44(47(45)34-16-5-2-6-17-34)28-27-40-39-21-11-12-22-43(39)48(46(40)42)35-25-23-31(24-26-35)41-29-33-15-7-8-18-36(33)37-19-9-10-20-38(37)41;1-3-10-27(11-4-1)39-26-35-38(43(39)31-14-5-2-6-15-31)25-23-33-32-16-7-8-17-36(32)44(42(33)35)37-24-21-30-19-18-28-12-9-13-29-20-22-34(37)41(30)40(28)29/h2*1-30H;1-26H
InChIKeyHAIICVAEICPYOB-UHFFFAOYSA-N
XLogP36.03
TPSA29.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms140
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001780.20
LogP ≤ 536.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2,3-diphenyl-10-pyren-1-ylpyrrolo[3,2-a]carbazole;10-(3-phenanthren-9-ylphenyl)-2,3-diphenylpyrrolo[3,2-a]carbazole;10-(4-phenanthren-9-ylphenyl)-2,3-diphenylpyrrolo[3,2-a]carbazole with MolForge

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Related Compounds

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
10-(3-anthracen-9-ylphenyl)-2,3-diphenylpyrrolo[3,2-a]carbazole
CID 118315588
5-(3-phenanthren-9-ylphenyl)-11-phenylbenzo[a]carbazole;5-(4-phenanthren-2-ylphenyl)-11-phenylbenzo[a]carbazole;5-(4-phenanthren-3-ylphenyl)-11-phenylbenzo[a]carbazole
CID 159012701
3-[4-(9-naphthalen-1-ylcarbazol-3-yl)naphthalen-1-yl]-9-phenylcarbazole;8-(9-naphthalen-1-ylcarbazol-3-yl)-11-phenylbenzo[a]carbazole;3-(9-naphthalen-2-ylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 160934909
2-phenanthren-9-yl-7-(4-phenylphenyl)benzo[c]carbazole
CID 130351286
3-[9-(3-benzo[c]phenanthren-5-ylphenyl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole;3-[9-(4-benzo[c]phenanthren-5-ylphenyl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole;3-[9-(3-phenylphenyl)carbazol-3-yl]-9-(3-triphenylen-2-ylphenyl)carbazole
CID 158289960
5-[3-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-12-phenylindolo[3,2-c]carbazole
CID 134168814
12-phenyl-16-[3-(2-phenylphenyl)phenyl]-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
CID 155465610
6-(9-naphthalen-2-ylcarbazol-3-yl)-1,9-diphenylcarbazole
CID 170072336
5-(4-carbazol-9-ylphenyl)-12-naphthalen-1-ylindolo[3,2-c]carbazole;5-(4-carbazol-9-ylphenyl)-12-(4-phenylnaphthalen-1-yl)indolo[3,2-c]carbazole;5-(4-carbazol-9-ylphenyl)-12-(4-phenylnaphthalen-2-yl)indolo[3,2-c]carbazole
CID 158187826
11-[3-(2-fluoranthen-8-ylphenyl)phenyl]-8-(9-phenylcarbazol-3-yl)benzo[a]carbazole
CID 130304252
9,14-dinaphthalen-2-yl-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-naphthalen-1-yl-14-naphthalen-2-yl-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;12-naphthalen-2-yl-11-(4-naphthalen-2-ylphenyl)indolo[2,3-a]carbazole;12-(6-naphthalen-2-ylnaphthalen-2-yl)-11-phenylindolo[2,3-a]carbazole;12-naphthalen-2-yl-11-[4-(4-naphthalen-2-ylphenyl)phenyl]indolo[2,3-a]carbazole;9-naphthalen-2-yl-14-phenyl-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;12-(3-naphthalen-2-ylphenyl)-11-[4-(4-phenylphenyl)phenyl]indolo[2,3-a]carbazole;12-(4-naphthalen-2-ylphenyl)-11-[4-(4-phenylphenyl)phenyl]indolo[2,3-a]carbazole;12-[4-(6-phenylnaphthalen-2-yl)phenyl]-11-(4-phenylphenyl)indolo[2,3-a]carbazole;12-(6-phenylnaphthalen-2-yl)-11-[4-(4-phenylphenyl)phenyl]indolo[2,3-a]carbazole
CID 157341055

Frequently Asked Questions

What is the IUPAC name of 2,3-diphenyl-10-pyren-1-ylpyrrolo[3,2-a]carbazole;10-(3-phenanthren-9-ylphenyl)-2,3-diphenylpyrrolo[3,2-a]carbazole;10-(4-phenanthren-9-ylphenyl)-2,3-diphenylpyrrolo[3,2-a]carbazole?
The IUPAC name of 2,3-diphenyl-10-pyren-1-ylpyrrolo[3,2-a]carbazole;10-(3-phenanthren-9-ylphenyl)-2,3-diphenylpyrrolo[3,2-a]carbazole;10-(4-phenanthren-9-ylphenyl)-2,3-diphenylpyrrolo[3,2-a]carbazole (CID 158419634) is 2,3-diphenyl-10-pyren-1-ylpyrrolo[3,2-a]carbazole;10-(3-phenanthren-9-ylphenyl)-2,3-diphenylpyrrolo[3,2-a]carbazole;10-(4-phenanthren-9-ylphenyl)-2,3-diphenylpyrrolo[3,2-a]carbazole.
What is the SMILES notation for 2,3-diphenyl-10-pyren-1-ylpyrrolo[3,2-a]carbazole;10-(3-phenanthren-9-ylphenyl)-2,3-diphenylpyrrolo[3,2-a]carbazole;10-(4-phenanthren-9-ylphenyl)-2,3-diphenylpyrrolo[3,2-a]carbazole?
The canonical SMILES for 2,3-diphenyl-10-pyren-1-ylpyrrolo[3,2-a]carbazole;10-(3-phenanthren-9-ylphenyl)-2,3-diphenylpyrrolo[3,2-a]carbazole;10-(4-phenanthren-9-ylphenyl)-2,3-diphenylpyrrolo[3,2-a]carbazole is c1ccc(-c2cc3c(ccc4c5ccccc5n(-c5ccc(-c6cc7ccccc7c7ccccc67)cc5)c43)n2-c2ccccc2)cc1.c1ccc(-c2cc3c(ccc4c5ccccc5n(-c5ccc6ccc7cccc8ccc5c6c78)c43)n2-c2ccccc2)cc1.c1ccc(-c2cc3c(ccc4c5ccccc5n(-c5cccc(-c6cc7ccccc7c7ccccc67)c5)c43)n2-c2ccccc2)cc1.
What is the InChIKey of 2,3-diphenyl-10-pyren-1-ylpyrrolo[3,2-a]carbazole;10-(3-phenanthren-9-ylphenyl)-2,3-diphenylpyrrolo[3,2-a]carbazole;10-(4-phenanthren-9-ylphenyl)-2,3-diphenylpyrrolo[3,2-a]carbazole?
The InChIKey is HAIICVAEICPYOB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C46H30N2.C42H26N2/c1-3-14-31(15-4-1)45-30-42-44(47(45)34-18-5-2-6-19-34)27-26-40-39-24-11-12-25-43(39)48(46(40)42)35-20-13-17-32(28-35)41-29-33-16-7-8-21-36(33)37-22-9-10-23-38(37)41;1-3-13-32(14-4-1)45-30-42-44(47(45)34-16-5-2-6-17-34)28-27-40-39-21-11-12-22-43(39)48(46(40)42)35-25-23-31(24-26-35)41-29-33-15-7-8-18-36(33)37-19-9-10-20-38(37)41;1-3-10-27(11-4-1)39-26-35-38(43(39)31-14-5-2-6-15-31)25-23-33-32-16-7-8-17-36(32)44(42(33)35)37-24-21-30-19-18-28-12-9-13-29-20-22-34(37)41(30)40(28)29/h2*1-30H;1-26H.
What are the key properties of 2,3-diphenyl-10-pyren-1-ylpyrrolo[3,2-a]carbazole;10-(3-phenanthren-9-ylphenyl)-2,3-diphenylpyrrolo[3,2-a]carbazole;10-(4-phenanthren-9-ylphenyl)-2,3-diphenylpyrrolo[3,2-a]carbazole?
2,3-diphenyl-10-pyren-1-ylpyrrolo[3,2-a]carbazole;10-(3-phenanthren-9-ylphenyl)-2,3-diphenylpyrrolo[3,2-a]carbazole;10-(4-phenanthren-9-ylphenyl)-2,3-diphenylpyrrolo[3,2-a]carbazole has a molecular weight of 1780.20 g/mol, XLogP of 36.03, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diphenyl-10-pyren-1-ylpyrrolo[3,2-a]carbazole;10-(3-phenanthren-9-ylphenyl)-2,3-diphenylpyrrolo[3,2-a]carbazole;10-(4-phenanthren-9-ylphenyl)-2,3-diphenylpyrrolo[3,2-a]carbazole is sourced from PubChem (CID 158419634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).