1-[3-(11,12-dihydrotriphenylen-2-yl)phenyl]-9H-carbazole

C36H25N — CID 129197677

IUPAC1-[3-(11,12-dihydrotriphenylen-2-yl)phenyl]-9H-carbazole
SMILESC1=Cc2c(c3cc(-c4cccc(-c5cccc6c5[nH]c5ccccc56)c4)ccc3c3ccccc23)CC1
InChIInChI=1S/C36H25N/c1-2-13-29-27(11-1)28-12-3-4-14-30(28)34-22-24(19-20-31(29)34)23-9-7-10-25(21-23)26-16-8-17-33-32-15-5-6-18-35(32)37-36(26)33/h1-3,5-13,15-22,37H,4,14H2
InChIKeyPUTIRKWXNGGZOW-UHFFFAOYSA-N
MW471.60 g/mol
LogP9.92
Rot. Bonds2

About 1-[3-(11,12-dihydrotriphenylen-2-yl)phenyl]-9H-carbazole

1-[3-(11,12-dihydrotriphenylen-2-yl)phenyl]-9H-carbazole (PubChem CID 129197677) has the molecular formula C36H25N and a molecular weight of 471.60 g/mol. Its IUPAC name is 1-[3-(11,12-dihydrotriphenylen-2-yl)phenyl]-9H-carbazole.

Molecular Properties

Compound Name1-[3-(11,12-dihydrotriphenylen-2-yl)phenyl]-9H-carbazole
PubChem CID129197677
Molecular FormulaC36H25N
Molecular Weight471.60 g/mol
Exact Mass471.20
IUPAC Name1-[3-(11,12-dihydrotriphenylen-2-yl)phenyl]-9H-carbazole
SMILESC1=Cc2c(c3cc(-c4cccc(-c5cccc6c5[nH]c5ccccc56)c4)ccc3c3ccccc23)CC1
InChIInChI=1S/C36H25N/c1-2-13-29-27(11-1)28-12-3-4-14-30(28)34-22-24(19-20-31(29)34)23-9-7-10-25(21-23)26-16-8-17-33-32-15-5-6-18-35(32)37-36(26)33/h1-3,5-13,15-22,37H,4,14H2
InChIKeyPUTIRKWXNGGZOW-UHFFFAOYSA-N
XLogP9.92
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.60
LogP ≤ 59.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-(3-triphenylen-2-ylphenyl)-9H-carbazole
CID 129197617
6-[3-(11,12-dihydrotriphenylen-2-yl)phenyl]phenanthro[9,10-b]pyrazine
CID 155111528
1-[4-[4-[4-[4-(9H-carbazol-1-yl)phenyl]phenyl]phenyl]phenyl]-9H-carbazole
CID 175958773
8-[3-(10-phenylanthracen-9-yl)phenyl]-4,11-dihydro-3H-benzo[a]carbazole
CID 144703463
1-(3,4-diphenylphenyl)-9H-carbazole
CID 141489388
1-(3-pyridin-3-ylphenyl)-9H-carbazole
CID 154284139
3-(9H-carbazol-1-yl)aniline
CID 67501137
3-[3-(11,12-dihydrotriphenylen-2-yl)phenyl]-[1]benzothiolo[2,3-c]pyridine
CID 159908537
9-[4-(5,6-dihydrotriphenylen-2-yl)phenyl]carbazole
CID 139337053
1-[4-[4-(9H-carbazol-1-yl)-2-methylphenyl]-3-methylphenyl]-9H-carbazole
CID 159544666
1-[3-(4-bromophenyl)-5-(9H-carbazol-1-yl)phenyl]-9H-carbazole
CID 67532426
1-(3-bromo-4-phenylphenyl)-9H-carbazole
CID 175063940

Frequently Asked Questions

What is the IUPAC name of 1-[3-(11,12-dihydrotriphenylen-2-yl)phenyl]-9H-carbazole?
The IUPAC name of 1-[3-(11,12-dihydrotriphenylen-2-yl)phenyl]-9H-carbazole (CID 129197677) is 1-[3-(11,12-dihydrotriphenylen-2-yl)phenyl]-9H-carbazole.
What is the SMILES notation for 1-[3-(11,12-dihydrotriphenylen-2-yl)phenyl]-9H-carbazole?
The canonical SMILES for 1-[3-(11,12-dihydrotriphenylen-2-yl)phenyl]-9H-carbazole is C1=Cc2c(c3cc(-c4cccc(-c5cccc6c5[nH]c5ccccc56)c4)ccc3c3ccccc23)CC1.
What is the InChIKey of 1-[3-(11,12-dihydrotriphenylen-2-yl)phenyl]-9H-carbazole?
The InChIKey is PUTIRKWXNGGZOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H25N/c1-2-13-29-27(11-1)28-12-3-4-14-30(28)34-22-24(19-20-31(29)34)23-9-7-10-25(21-23)26-16-8-17-33-32-15-5-6-18-35(32)37-36(26)33/h1-3,5-13,15-22,37H,4,14H2.
What are the key properties of 1-[3-(11,12-dihydrotriphenylen-2-yl)phenyl]-9H-carbazole?
1-[3-(11,12-dihydrotriphenylen-2-yl)phenyl]-9H-carbazole has a molecular weight of 471.60 g/mol, XLogP of 9.92, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(11,12-dihydrotriphenylen-2-yl)phenyl]-9H-carbazole is sourced from PubChem (CID 129197677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).