9-[4-(5,6-dihydrotriphenylen-2-yl)phenyl]carbazole

C36H25N — CID 139337053

IUPAC9-[4-(5,6-dihydrotriphenylen-2-yl)phenyl]carbazole
SMILESC1=Cc2c(c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3c3ccccc23)CC1
InChIInChI=1S/C36H25N/c1-2-11-29-27(9-1)28-10-3-4-12-30(28)34-23-25(19-22-31(29)34)24-17-20-26(21-18-24)37-35-15-7-5-13-32(35)33-14-6-8-16-36(33)37/h1,3-10,12-23H,2,11H2
InChIKeyALSOBNVFHGBQRI-UHFFFAOYSA-N
MW471.60 g/mol
LogP9.72
Rot. Bonds2

About 9-[4-(5,6-dihydrotriphenylen-2-yl)phenyl]carbazole

9-[4-(5,6-dihydrotriphenylen-2-yl)phenyl]carbazole (PubChem CID 139337053) has the molecular formula C36H25N and a molecular weight of 471.60 g/mol. Its IUPAC name is 9-[4-(5,6-dihydrotriphenylen-2-yl)phenyl]carbazole.

Molecular Properties

Compound Name9-[4-(5,6-dihydrotriphenylen-2-yl)phenyl]carbazole
PubChem CID139337053
Molecular FormulaC36H25N
Molecular Weight471.60 g/mol
Exact Mass471.20
IUPAC Name9-[4-(5,6-dihydrotriphenylen-2-yl)phenyl]carbazole
SMILESC1=Cc2c(c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3c3ccccc23)CC1
InChIInChI=1S/C36H25N/c1-2-11-29-27(9-1)28-10-3-4-12-30(28)34-23-25(19-22-31(29)34)24-17-20-26(21-18-24)37-35-15-7-5-13-32(35)33-14-6-8-16-36(33)37/h1,3-10,12-23H,2,11H2
InChIKeyALSOBNVFHGBQRI-UHFFFAOYSA-N
XLogP9.72
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.60
LogP ≤ 59.72
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

3-[9-(5,6-dihydrotriphenylen-2-yl)carbazol-3-yl]-9-phenylcarbazole
CID 146258565
3-(5,6-dihydrotriphenylen-2-yl)-9-(9-phenylcarbazol-3-yl)carbazole
CID 139540581
9-(5,6-dihydrotriphenylen-2-yl)-3-[4-methyl-3-(2-methylphenyl)phenyl]carbazole
CID 166969507
9-phenyl-2-(9-triphenylen-2-yl-5,6-dihydrocarbazol-3-yl)carbazole
CID 163694127
9-phenyl-3-[4-(3-triphenylen-2-ylcarbazol-9-yl)phenyl]carbazole
CID 126682035
9-phenyl-2-(9-phenyl-7,8-dihydrocarbazol-2-yl)carbazole
CID 144650170
5-chloro-7-[4-(4-phenylphenyl)phenyl]-1,2-dihydrobenzo[c]carbazole
CID 145362296
9-(6-triphenylen-2-ylnaphthalen-2-yl)-3,4-dihydrocarbazole
CID 123813680
9-(4-phenylphenyl)-3-[9-(3-phenylphenyl)-5,6-dihydrocarbazol-2-yl]carbazole
CID 123902449
9-[4-[[4-[4-(3,4,5,6-tetrahydrocarbazol-9-yl)phenyl]phenyl]methyl]phenyl]carbazole
CID 143423702
3-(5,6-dihydrotriphenylen-2-yl)-9-(9,9-dimethyl-21-oxapentacyclo[11.8.0.02,10.03,8.014,20]henicosa-1(13),2(10),3(8),4,6,11,14(20),18-octaen-6-yl)carbazole;ethane
CID 144578540
9-phenyl-3-(9-phenylcarbazol-3-yl)-6-triphenylen-2-ylcarbazole
CID 134378390

Frequently Asked Questions

What is the IUPAC name of 9-[4-(5,6-dihydrotriphenylen-2-yl)phenyl]carbazole?
The IUPAC name of 9-[4-(5,6-dihydrotriphenylen-2-yl)phenyl]carbazole (CID 139337053) is 9-[4-(5,6-dihydrotriphenylen-2-yl)phenyl]carbazole.
What is the SMILES notation for 9-[4-(5,6-dihydrotriphenylen-2-yl)phenyl]carbazole?
The canonical SMILES for 9-[4-(5,6-dihydrotriphenylen-2-yl)phenyl]carbazole is C1=Cc2c(c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3c3ccccc23)CC1.
What is the InChIKey of 9-[4-(5,6-dihydrotriphenylen-2-yl)phenyl]carbazole?
The InChIKey is ALSOBNVFHGBQRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H25N/c1-2-11-29-27(9-1)28-10-3-4-12-30(28)34-23-25(19-22-31(29)34)24-17-20-26(21-18-24)37-35-15-7-5-13-32(35)33-14-6-8-16-36(33)37/h1,3-10,12-23H,2,11H2.
What are the key properties of 9-[4-(5,6-dihydrotriphenylen-2-yl)phenyl]carbazole?
9-[4-(5,6-dihydrotriphenylen-2-yl)phenyl]carbazole has a molecular weight of 471.60 g/mol, XLogP of 9.72, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(5,6-dihydrotriphenylen-2-yl)phenyl]carbazole is sourced from PubChem (CID 139337053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).