9-phenyl-3-(9-phenyl-6,7-dihydrocarbazol-3-yl)-6-triphenylen-2-ylcarbazole

C54H36N2 — CID 162698923

IUPAC9-phenyl-3-(9-phenyl-6,7-dihydrocarbazol-3-yl)-6-triphenylen-2-ylcarbazole
SMILESC1=c2c(n(-c3ccccc3)c3ccc(-c4ccc5c(c4)c4cc(-c6ccc7c8ccccc8c8ccccc8c7c6)ccc4n5-c4ccccc4)cc23)=CCC1
InChIInChI=1S/C54H36N2/c1-3-13-39(14-4-1)55-51-22-12-11-21-46(51)48-32-36(24-28-52(48)55)38-26-30-54-50(34-38)49-33-37(25-29-53(49)56(54)40-15-5-2-6-16-40)35-23-27-45-43-19-8-7-17-41(43)42-18-9-10-20-44(42)47(45)31-35/h1-10,13-34H,11-12H2
InChIKeyHTSRLMBIMXIJMS-UHFFFAOYSA-N
MW712.90 g/mol
LogP12.88
Rot. Bonds4

About 9-phenyl-3-(9-phenyl-6,7-dihydrocarbazol-3-yl)-6-triphenylen-2-ylcarbazole

9-phenyl-3-(9-phenyl-6,7-dihydrocarbazol-3-yl)-6-triphenylen-2-ylcarbazole (PubChem CID 162698923) has the molecular formula C54H36N2 and a molecular weight of 712.90 g/mol. Its IUPAC name is 9-phenyl-3-(9-phenyl-6,7-dihydrocarbazol-3-yl)-6-triphenylen-2-ylcarbazole.

Molecular Properties

Compound Name9-phenyl-3-(9-phenyl-6,7-dihydrocarbazol-3-yl)-6-triphenylen-2-ylcarbazole
PubChem CID162698923
Molecular FormulaC54H36N2
Molecular Weight712.90 g/mol
Exact Mass712.29
IUPAC Name9-phenyl-3-(9-phenyl-6,7-dihydrocarbazol-3-yl)-6-triphenylen-2-ylcarbazole
SMILESC1=c2c(n(-c3ccccc3)c3ccc(-c4ccc5c(c4)c4cc(-c6ccc7c8ccccc8c8ccccc8c7c6)ccc4n5-c4ccccc4)cc23)=CCC1
InChIInChI=1S/C54H36N2/c1-3-13-39(14-4-1)55-51-22-12-11-21-46(51)48-32-36(24-28-52(48)55)38-26-30-54-50(34-38)49-33-37(25-29-53(49)56(54)40-15-5-2-6-16-40)35-23-27-45-43-19-8-7-17-41(43)42-18-9-10-20-44(42)47(45)31-35/h1-10,13-34H,11-12H2
InChIKeyHTSRLMBIMXIJMS-UHFFFAOYSA-N
XLogP12.88
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500712.90
LogP ≤ 512.88
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

9-phenyl-3-[4-(9-phenyl-6,7-dihydrocarbazol-3-yl)naphthalen-1-yl]carbazole
CID 146359318
2-(9-phenyl-6,7-dihydrocarbazol-3-yl)-9H-carbazole
CID 90051131
3-[9-(3-methylphenyl)-6,7-dihydrocarbazol-3-yl]-9-(3-phenylphenyl)carbazole
CID 144943040
4-[6-[9-[4-(dimethylamino)phenyl]-6-[9-[4-(dimethylamino)phenyl]carbazol-3-yl]carbazol-3-yl]-2,3-dihydrocarbazol-9-yl]-N,N-dimethylaniline
CID 142088052
9-phenyl-3-(9-phenylcarbazol-3-yl)-6-triphenylen-2-ylcarbazole
CID 134378390
5,11-diphenyl-2-triphenylen-2-ylindolo[3,2-b]carbazole
CID 90441162
9-phenyl-3-[4-(3-triphenylen-2-ylcarbazol-9-yl)phenyl]carbazole
CID 126682035
6,9-diphenyl-2-[3-(4-phenylphenyl)-5-triphenylen-2-ylphenyl]carbazole
CID 122492360
3-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole;9-phenyl-3-(4-phenylphenyl)-6-[4-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 158399670
6,9-diphenyl-2-[3-(3-phenylphenyl)-5-triphenylen-2-ylphenyl]carbazole
CID 122492358
23-phenyl-10-(4-phenylphenyl)-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaene
CID 89417795
6-[(E)-but-2-en-2-yl]-9-phenyl-2,3-dihydrocarbazole
CID 142604585

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-3-(9-phenyl-6,7-dihydrocarbazol-3-yl)-6-triphenylen-2-ylcarbazole?
The IUPAC name of 9-phenyl-3-(9-phenyl-6,7-dihydrocarbazol-3-yl)-6-triphenylen-2-ylcarbazole (CID 162698923) is 9-phenyl-3-(9-phenyl-6,7-dihydrocarbazol-3-yl)-6-triphenylen-2-ylcarbazole.
What is the SMILES notation for 9-phenyl-3-(9-phenyl-6,7-dihydrocarbazol-3-yl)-6-triphenylen-2-ylcarbazole?
The canonical SMILES for 9-phenyl-3-(9-phenyl-6,7-dihydrocarbazol-3-yl)-6-triphenylen-2-ylcarbazole is C1=c2c(n(-c3ccccc3)c3ccc(-c4ccc5c(c4)c4cc(-c6ccc7c8ccccc8c8ccccc8c7c6)ccc4n5-c4ccccc4)cc23)=CCC1.
What is the InChIKey of 9-phenyl-3-(9-phenyl-6,7-dihydrocarbazol-3-yl)-6-triphenylen-2-ylcarbazole?
The InChIKey is HTSRLMBIMXIJMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36N2/c1-3-13-39(14-4-1)55-51-22-12-11-21-46(51)48-32-36(24-28-52(48)55)38-26-30-54-50(34-38)49-33-37(25-29-53(49)56(54)40-15-5-2-6-16-40)35-23-27-45-43-19-8-7-17-41(43)42-18-9-10-20-44(42)47(45)31-35/h1-10,13-34H,11-12H2.
What are the key properties of 9-phenyl-3-(9-phenyl-6,7-dihydrocarbazol-3-yl)-6-triphenylen-2-ylcarbazole?
9-phenyl-3-(9-phenyl-6,7-dihydrocarbazol-3-yl)-6-triphenylen-2-ylcarbazole has a molecular weight of 712.90 g/mol, XLogP of 12.88, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-3-(9-phenyl-6,7-dihydrocarbazol-3-yl)-6-triphenylen-2-ylcarbazole is sourced from PubChem (CID 162698923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).