3-(3,5-diphenylphenyl)-10-(3-phenanthren-2-ylphenyl)pyrrolo[3,2-a]carbazole

C52H34N2 — CID 118315497

IUPAC3-(3,5-diphenylphenyl)-10-(3-phenanthren-2-ylphenyl)pyrrolo[3,2-a]carbazole
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-n3ccc4c3ccc3c5ccccc5n(-c5cccc(-c6ccc7c(ccc8ccccc87)c6)c5)c34)c2)cc1
InChIInChI=1S/C52H34N2/c1-3-12-35(13-4-1)41-31-42(36-14-5-2-6-15-36)34-44(33-41)53-29-28-49-50(53)27-26-48-47-20-9-10-21-51(47)54(52(48)49)43-18-11-17-38(32-43)39-24-25-46-40(30-39)23-22-37-16-7-8-19-45(37)46/h1-34H
InChIKeyFEFHPWSSHPXTPG-UHFFFAOYSA-N
MW686.86 g/mol
LogP14.03
Rot. Bonds5

About 3-(3,5-diphenylphenyl)-10-(3-phenanthren-2-ylphenyl)pyrrolo[3,2-a]carbazole

3-(3,5-diphenylphenyl)-10-(3-phenanthren-2-ylphenyl)pyrrolo[3,2-a]carbazole (PubChem CID 118315497) has the molecular formula C52H34N2 and a molecular weight of 686.86 g/mol. Its IUPAC name is 3-(3,5-diphenylphenyl)-10-(3-phenanthren-2-ylphenyl)pyrrolo[3,2-a]carbazole.

Molecular Properties

Compound Name3-(3,5-diphenylphenyl)-10-(3-phenanthren-2-ylphenyl)pyrrolo[3,2-a]carbazole
PubChem CID118315497
Molecular FormulaC52H34N2
Molecular Weight686.86 g/mol
Exact Mass686.27
IUPAC Name3-(3,5-diphenylphenyl)-10-(3-phenanthren-2-ylphenyl)pyrrolo[3,2-a]carbazole
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-n3ccc4c3ccc3c5ccccc5n(-c5cccc(-c6ccc7c(ccc8ccccc87)c6)c5)c34)c2)cc1
InChIInChI=1S/C52H34N2/c1-3-12-35(13-4-1)41-31-42(36-14-5-2-6-15-36)34-44(33-41)53-29-28-49-50(53)27-26-48-47-20-9-10-21-51(47)54(52(48)49)43-18-11-17-38(32-43)39-24-25-46-40(30-39)23-22-37-16-7-8-19-45(37)46/h1-34H
InChIKeyFEFHPWSSHPXTPG-UHFFFAOYSA-N
XLogP14.03
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500686.86
LogP ≤ 514.03
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

3-(3,5-diphenylphenyl)-10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]pyrrolo[3,2-a]carbazole
CID 90130566
10-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-3-(3,5-diphenylphenyl)pyrrolo[3,2-a]carbazole
CID 118315552
3-phenyl-10-(3-triphenylen-2-ylphenyl)pyrrolo[3,2-a]carbazole
CID 118314949
N-[3-[3-(3,5-diphenylphenyl)pyrrolo[3,2-a]carbazol-10-yl]phenyl]-N-phenylnaphthalen-2-amine
CID 118315524
3-phenyl-10-[9-(3-phenylphenyl)carbazol-3-yl]pyrrolo[3,2-a]carbazole
CID 144815931
10-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3-phenylpyrrolo[3,2-a]carbazole
CID 123855257
10-[3-(10-phenylanthracen-9-yl)phenyl]-3-(4-phenylphenyl)pyrrolo[3,2-a]carbazole
CID 118315429
7-phenyl-20-(3-phenylphenyl)-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 90223138
3-phenyl-10-[4-(7-phenyltriphenylen-2-yl)phenyl]pyrrolo[3,2-a]carbazole
CID 118314952
10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]-3-phenyl-7-(9-phenylcarbazol-3-yl)pyrrolo[3,2-a]carbazole
CID 90183196
17-phenyl-3-(3-pyridin-4-ylphenyl)-3,17-diazapentacyclo[11.7.0.02,10.04,9.014,18]icosa-1(13),2(10),4,6,8,11,14(18),15,19-nonaene
CID 90223481
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

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-diphenylphenyl)-10-(3-phenanthren-2-ylphenyl)pyrrolo[3,2-a]carbazole?
The IUPAC name of 3-(3,5-diphenylphenyl)-10-(3-phenanthren-2-ylphenyl)pyrrolo[3,2-a]carbazole (CID 118315497) is 3-(3,5-diphenylphenyl)-10-(3-phenanthren-2-ylphenyl)pyrrolo[3,2-a]carbazole.
What is the SMILES notation for 3-(3,5-diphenylphenyl)-10-(3-phenanthren-2-ylphenyl)pyrrolo[3,2-a]carbazole?
The canonical SMILES for 3-(3,5-diphenylphenyl)-10-(3-phenanthren-2-ylphenyl)pyrrolo[3,2-a]carbazole is c1ccc(-c2cc(-c3ccccc3)cc(-n3ccc4c3ccc3c5ccccc5n(-c5cccc(-c6ccc7c(ccc8ccccc87)c6)c5)c34)c2)cc1.
What is the InChIKey of 3-(3,5-diphenylphenyl)-10-(3-phenanthren-2-ylphenyl)pyrrolo[3,2-a]carbazole?
The InChIKey is FEFHPWSSHPXTPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N2/c1-3-12-35(13-4-1)41-31-42(36-14-5-2-6-15-36)34-44(33-41)53-29-28-49-50(53)27-26-48-47-20-9-10-21-51(47)54(52(48)49)43-18-11-17-38(32-43)39-24-25-46-40(30-39)23-22-37-16-7-8-19-45(37)46/h1-34H.
What are the key properties of 3-(3,5-diphenylphenyl)-10-(3-phenanthren-2-ylphenyl)pyrrolo[3,2-a]carbazole?
3-(3,5-diphenylphenyl)-10-(3-phenanthren-2-ylphenyl)pyrrolo[3,2-a]carbazole has a molecular weight of 686.86 g/mol, XLogP of 14.03, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-diphenylphenyl)-10-(3-phenanthren-2-ylphenyl)pyrrolo[3,2-a]carbazole is sourced from PubChem (CID 118315497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).