12-(4-phenylphenyl)-5-(3-triphenylen-2-ylphenyl)indolo[3,2-c]carbazole

C54H34N2 — CID 170676015

IUPAC12-(4-phenylphenyl)-5-(3-triphenylen-2-ylphenyl)indolo[3,2-c]carbazole
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5cccc(-c6ccc7c8ccccc8c8ccccc8c7c6)c5)c43)cc2)cc1
InChIInChI=1S/C54H34N2/c1-2-13-35(14-3-1)36-25-28-39(29-26-36)56-50-23-10-8-21-46(50)47-31-32-52-53(54(47)56)48-22-9-11-24-51(48)55(52)40-16-12-15-37(33-40)38-27-30-45-43-19-5-4-17-41(43)42-18-6-7-20-44(42)49(45)34-38/h1-34H
InChIKeyLIYIHSRVCAKAMK-UHFFFAOYSA-N
MW710.88 g/mol
LogP14.67
Rot. Bonds4

About 12-(4-phenylphenyl)-5-(3-triphenylen-2-ylphenyl)indolo[3,2-c]carbazole

12-(4-phenylphenyl)-5-(3-triphenylen-2-ylphenyl)indolo[3,2-c]carbazole (PubChem CID 170676015) has the molecular formula C54H34N2 and a molecular weight of 710.88 g/mol. Its IUPAC name is 12-(4-phenylphenyl)-5-(3-triphenylen-2-ylphenyl)indolo[3,2-c]carbazole.

Molecular Properties

Compound Name12-(4-phenylphenyl)-5-(3-triphenylen-2-ylphenyl)indolo[3,2-c]carbazole
PubChem CID170676015
Molecular FormulaC54H34N2
Molecular Weight710.88 g/mol
Exact Mass710.27
IUPAC Name12-(4-phenylphenyl)-5-(3-triphenylen-2-ylphenyl)indolo[3,2-c]carbazole
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5cccc(-c6ccc7c8ccccc8c8ccccc8c7c6)c5)c43)cc2)cc1
InChIInChI=1S/C54H34N2/c1-2-13-35(14-3-1)36-25-28-39(29-26-36)56-50-23-10-8-21-46(50)47-31-32-52-53(54(47)56)48-22-9-11-24-51(48)55(52)40-16-12-15-37(33-40)38-27-30-45-43-19-5-4-17-41(43)42-18-6-7-20-44(42)49(45)34-38/h1-34H
InChIKeyLIYIHSRVCAKAMK-UHFFFAOYSA-N
XLogP14.67
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500710.88
LogP ≤ 514.67
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

5-phenyl-12-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]indolo[3,2-c]carbazole
CID 134168773
12-(3-phenylphenyl)-5-[4-(4-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 122598833
5-(3-phenylphenyl)-12-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 126656172
12-[3-(4-carbazol-9-ylphenyl)phenyl]-5-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 134168746
12-(4-carbazol-9-ylphenyl)-5-(3-phenylphenyl)indolo[3,2-c]carbazole
CID 134168741
12-[4-(3-carbazol-9-ylphenyl)phenyl]-5-phenylindolo[3,2-c]carbazole;12-[4-(9-phenylcarbazol-2-yl)phenyl]-5-(4-phenylphenyl)indolo[3,2-c]carbazole;12-[4-(9-phenylcarbazol-3-yl)phenyl]-5-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 159456602
5,12-bis[3-(4-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 122598848
5-phenyl-12-[3-(3-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 153011834
3-carbazol-9-yl-9-[3-[3-(3-phenylphenyl)phenyl]phenyl]carbazole;12-(3,5-diphenylphenyl)-5-(4-phenylphenyl)indolo[3,2-c]carbazole;9-(3-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 159378561
5-(3-phenylphenyl)-12-[3-(3-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 164847593
5-(9-phenylcarbazol-2-yl)-12-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 134168829
5-[4-[4-[12-(3-carbazol-9-ylphenyl)indolo[2,3-a]carbazol-11-yl]phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole
CID 88917457

Frequently Asked Questions

What is the IUPAC name of 12-(4-phenylphenyl)-5-(3-triphenylen-2-ylphenyl)indolo[3,2-c]carbazole?
The IUPAC name of 12-(4-phenylphenyl)-5-(3-triphenylen-2-ylphenyl)indolo[3,2-c]carbazole (CID 170676015) is 12-(4-phenylphenyl)-5-(3-triphenylen-2-ylphenyl)indolo[3,2-c]carbazole.
What is the SMILES notation for 12-(4-phenylphenyl)-5-(3-triphenylen-2-ylphenyl)indolo[3,2-c]carbazole?
The canonical SMILES for 12-(4-phenylphenyl)-5-(3-triphenylen-2-ylphenyl)indolo[3,2-c]carbazole is c1ccc(-c2ccc(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5cccc(-c6ccc7c8ccccc8c8ccccc8c7c6)c5)c43)cc2)cc1.
What is the InChIKey of 12-(4-phenylphenyl)-5-(3-triphenylen-2-ylphenyl)indolo[3,2-c]carbazole?
The InChIKey is LIYIHSRVCAKAMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N2/c1-2-13-35(14-3-1)36-25-28-39(29-26-36)56-50-23-10-8-21-46(50)47-31-32-52-53(54(47)56)48-22-9-11-24-51(48)55(52)40-16-12-15-37(33-40)38-27-30-45-43-19-5-4-17-41(43)42-18-6-7-20-44(42)49(45)34-38/h1-34H.
What are the key properties of 12-(4-phenylphenyl)-5-(3-triphenylen-2-ylphenyl)indolo[3,2-c]carbazole?
12-(4-phenylphenyl)-5-(3-triphenylen-2-ylphenyl)indolo[3,2-c]carbazole has a molecular weight of 710.88 g/mol, XLogP of 14.67, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(4-phenylphenyl)-5-(3-triphenylen-2-ylphenyl)indolo[3,2-c]carbazole is sourced from PubChem (CID 170676015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).