5-(4-phenylphenyl)-3,4-dihydrobenzo[b]carbazole

C28H21N — CID 144920025

IUPAC5-(4-phenylphenyl)-3,4-dihydrobenzo[b]carbazole
SMILESC1=Cc2c(n(-c3ccc(-c4ccccc4)cc3)c3cc4ccccc4cc23)CC1
InChIInChI=1S/C28H21N/c1-2-8-20(9-3-1)21-14-16-24(17-15-21)29-27-13-7-6-12-25(27)26-18-22-10-4-5-11-23(22)19-28(26)29/h1-6,8-12,14-19H,7,13H2
InChIKeyFNVVGOMLAUWEEJ-UHFFFAOYSA-N
MW371.48 g/mol
LogP7.41
Rot. Bonds2

About 5-(4-phenylphenyl)-3,4-dihydrobenzo[b]carbazole

5-(4-phenylphenyl)-3,4-dihydrobenzo[b]carbazole (PubChem CID 144920025) has the molecular formula C28H21N and a molecular weight of 371.48 g/mol. Its IUPAC name is 5-(4-phenylphenyl)-3,4-dihydrobenzo[b]carbazole.

Molecular Properties

Compound Name5-(4-phenylphenyl)-3,4-dihydrobenzo[b]carbazole
PubChem CID144920025
Molecular FormulaC28H21N
Molecular Weight371.48 g/mol
Exact Mass371.17
IUPAC Name5-(4-phenylphenyl)-3,4-dihydrobenzo[b]carbazole
SMILESC1=Cc2c(n(-c3ccc(-c4ccccc4)cc3)c3cc4ccccc4cc23)CC1
InChIInChI=1S/C28H21N/c1-2-8-20(9-3-1)21-14-16-24(17-15-21)29-27-13-7-6-12-25(27)26-18-22-10-4-5-11-23(22)19-28(26)29/h1-6,8-12,14-19H,7,13H2
InChIKeyFNVVGOMLAUWEEJ-UHFFFAOYSA-N
XLogP7.41
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms29
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.48
LogP ≤ 57.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(4-phenylphenyl)-3,4-dihydrobenzo[b]carbazole?
The IUPAC name of 5-(4-phenylphenyl)-3,4-dihydrobenzo[b]carbazole (CID 144920025) is 5-(4-phenylphenyl)-3,4-dihydrobenzo[b]carbazole.
What is the SMILES notation for 5-(4-phenylphenyl)-3,4-dihydrobenzo[b]carbazole?
The canonical SMILES for 5-(4-phenylphenyl)-3,4-dihydrobenzo[b]carbazole is C1=Cc2c(n(-c3ccc(-c4ccccc4)cc3)c3cc4ccccc4cc23)CC1.
What is the InChIKey of 5-(4-phenylphenyl)-3,4-dihydrobenzo[b]carbazole?
The InChIKey is FNVVGOMLAUWEEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21N/c1-2-8-20(9-3-1)21-14-16-24(17-15-21)29-27-13-7-6-12-25(27)26-18-22-10-4-5-11-23(22)19-28(26)29/h1-6,8-12,14-19H,7,13H2.
What are the key properties of 5-(4-phenylphenyl)-3,4-dihydrobenzo[b]carbazole?
5-(4-phenylphenyl)-3,4-dihydrobenzo[b]carbazole has a molecular weight of 371.48 g/mol, XLogP of 7.41, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-phenylphenyl)-3,4-dihydrobenzo[b]carbazole is sourced from PubChem (CID 144920025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).