2-phenyl-9-[2-(2-triphenylen-2-ylphenyl)phenyl]-4a,9a-dihydrocarbazole

C48H33N — CID 174278251

IUPAC2-phenyl-9-[2-(2-triphenylen-2-ylphenyl)phenyl]-4a,9a-dihydrocarbazole
SMILESC1=CC2c3ccccc3N(c3ccccc3-c3ccccc3-c3ccc4c5ccccc5c5ccccc5c4c3)C2C=C1c1ccccc1
InChIInChI=1S/C48H33N/c1-2-14-32(15-3-1)33-26-29-44-43-23-11-13-25-47(43)49(48(44)31-33)46-24-12-10-22-42(46)36-17-5-4-16-35(36)34-27-28-41-39-20-7-6-18-37(39)38-19-8-9-21-40(38)45(41)30-34/h1-31,44,48H
InChIKeyKYYNFOKJNULIQQ-UHFFFAOYSA-N
MW623.80 g/mol
LogP12.74
Rot. Bonds4

About 2-phenyl-9-[2-(2-triphenylen-2-ylphenyl)phenyl]-4a,9a-dihydrocarbazole

2-phenyl-9-[2-(2-triphenylen-2-ylphenyl)phenyl]-4a,9a-dihydrocarbazole (PubChem CID 174278251) has the molecular formula C48H33N and a molecular weight of 623.80 g/mol. Its IUPAC name is 2-phenyl-9-[2-(2-triphenylen-2-ylphenyl)phenyl]-4a,9a-dihydrocarbazole.

Molecular Properties

Compound Name2-phenyl-9-[2-(2-triphenylen-2-ylphenyl)phenyl]-4a,9a-dihydrocarbazole
PubChem CID174278251
Molecular FormulaC48H33N
Molecular Weight623.80 g/mol
Exact Mass623.26
IUPAC Name2-phenyl-9-[2-(2-triphenylen-2-ylphenyl)phenyl]-4a,9a-dihydrocarbazole
SMILESC1=CC2c3ccccc3N(c3ccccc3-c3ccccc3-c3ccc4c5ccccc5c5ccccc5c4c3)C2C=C1c1ccccc1
InChIInChI=1S/C48H33N/c1-2-14-32(15-3-1)33-26-29-44-43-23-11-13-25-47(43)49(48(44)31-33)46-24-12-10-22-42(46)36-17-5-4-16-35(36)34-27-28-41-39-20-7-6-18-37(39)38-19-8-9-21-40(38)45(41)30-34/h1-31,44,48H
InChIKeyKYYNFOKJNULIQQ-UHFFFAOYSA-N
XLogP12.74
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500623.80
LogP ≤ 512.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

9-(3-phenylphenyl)-3-[9-(3-phenylphenyl)-4a,9a-dihydrocarbazol-2-yl]carbazole
CID 168748236
2-[4-[8-(4-methylphenyl)dibenzofuran-4-yl]phenyl]-9-phenyl-4a,9a-dihydrocarbazole
CID 145318401
9-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-3-yl]-2-phenyl-4a,9a-dihydrocarbazole
CID 166988242
9-phenyl-3-[2-(9-phenyl-4a,9a-dihydrocarbazol-3-yl)phenyl]carbazole
CID 130180361
9-(4-triphenylen-2-ylphenyl)-4a,9a-dihydrocarbazole
CID 118490775
5-phenyl-2-(3-triphenylen-2-ylphenyl)-4a,10b-dihydrophenanthridin-6-one
CID 146620678
3-(9H-fluoren-3-yl)-9-phenyl-4a,9a-dihydrocarbazole;3-(6-naphthalen-1-yl-9H-fluoren-3-yl)-9-phenyl-4a,9a-dihydrocarbazole;9-phenyl-3-(6-phenyl-9H-fluoren-3-yl)-4a,9a-dihydrocarbazole;9-phenyl-3-[6-(2-phenylphenyl)-9H-fluoren-3-yl]-4a,9a-dihydrocarbazole;9-phenyl-3-[6-(3-phenylphenyl)-9H-fluoren-3-yl]-4a,9a-dihydrocarbazole;9-phenyl-3-[6-(4-phenylphenyl)-9H-fluoren-3-yl]-4a,9a-dihydrocarbazole
CID 162048900
3-[9-(4-phenylphenyl)-4a,9a-dihydrocarbazol-3-yl]-9H-carbazole
CID 118369059
5,9-diphenyl-3-(9-phenyl-4a,9a-dihydrocarbazol-3-yl)carbazole
CID 174252041
14-[6-[6-(14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-14-yl)-9-phenyl-4a,9a-dihydrocarbazol-3-yl]-9-phenylcarbazol-3-yl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene
CID 89285749
3-[9-(9,9-dimethylfluoren-2-yl)-4a,9a-dihydrocarbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 149382960
6-[3-[9-[3-(4-phenylphenyl)phenyl]carbazol-3-yl]-4a,9a-dihydrocarbazol-9-yl]benzene-1,2,3,4,5-pentol
CID 144560235

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-9-[2-(2-triphenylen-2-ylphenyl)phenyl]-4a,9a-dihydrocarbazole?
The IUPAC name of 2-phenyl-9-[2-(2-triphenylen-2-ylphenyl)phenyl]-4a,9a-dihydrocarbazole (CID 174278251) is 2-phenyl-9-[2-(2-triphenylen-2-ylphenyl)phenyl]-4a,9a-dihydrocarbazole.
What is the SMILES notation for 2-phenyl-9-[2-(2-triphenylen-2-ylphenyl)phenyl]-4a,9a-dihydrocarbazole?
The canonical SMILES for 2-phenyl-9-[2-(2-triphenylen-2-ylphenyl)phenyl]-4a,9a-dihydrocarbazole is C1=CC2c3ccccc3N(c3ccccc3-c3ccccc3-c3ccc4c5ccccc5c5ccccc5c4c3)C2C=C1c1ccccc1.
What is the InChIKey of 2-phenyl-9-[2-(2-triphenylen-2-ylphenyl)phenyl]-4a,9a-dihydrocarbazole?
The InChIKey is KYYNFOKJNULIQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H33N/c1-2-14-32(15-3-1)33-26-29-44-43-23-11-13-25-47(43)49(48(44)31-33)46-24-12-10-22-42(46)36-17-5-4-16-35(36)34-27-28-41-39-20-7-6-18-37(39)38-19-8-9-21-40(38)45(41)30-34/h1-31,44,48H.
What are the key properties of 2-phenyl-9-[2-(2-triphenylen-2-ylphenyl)phenyl]-4a,9a-dihydrocarbazole?
2-phenyl-9-[2-(2-triphenylen-2-ylphenyl)phenyl]-4a,9a-dihydrocarbazole has a molecular weight of 623.80 g/mol, XLogP of 12.74, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-9-[2-(2-triphenylen-2-ylphenyl)phenyl]-4a,9a-dihydrocarbazole is sourced from PubChem (CID 174278251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).