5,9-diphenyl-4,4a-dihydrobenzo[b]carbazole

C28H21N — CID 91156957

IUPAC5,9-diphenyl-4,4a-dihydrobenzo[b]carbazole
SMILESC1=CCC2C(=C1)c1cc3cc(-c4ccccc4)ccc3cc1N2c1ccccc1
InChIInChI=1S/C28H21N/c1-3-9-20(10-4-1)21-15-16-22-19-28-26(18-23(22)17-21)25-13-7-8-14-27(25)29(28)24-11-5-2-6-12-24/h1-13,15-19,27H,14H2
InChIKeyHFEMNLUXONUXQH-UHFFFAOYSA-N
MW371.48 g/mol
LogP7.37
Rot. Bonds2

About 5,9-diphenyl-4,4a-dihydrobenzo[b]carbazole

5,9-diphenyl-4,4a-dihydrobenzo[b]carbazole (PubChem CID 91156957) has the molecular formula C28H21N and a molecular weight of 371.48 g/mol. Its IUPAC name is 5,9-diphenyl-4,4a-dihydrobenzo[b]carbazole.

Molecular Properties

Compound Name5,9-diphenyl-4,4a-dihydrobenzo[b]carbazole
PubChem CID91156957
Molecular FormulaC28H21N
Molecular Weight371.48 g/mol
Exact Mass371.17
IUPAC Name5,9-diphenyl-4,4a-dihydrobenzo[b]carbazole
SMILESC1=CCC2C(=C1)c1cc3cc(-c4ccccc4)ccc3cc1N2c1ccccc1
InChIInChI=1S/C28H21N/c1-3-9-20(10-4-1)21-15-16-22-19-28-26(18-23(22)17-21)25-13-7-8-14-27(25)29(28)24-11-5-2-6-12-24/h1-13,15-19,27H,14H2
InChIKeyHFEMNLUXONUXQH-UHFFFAOYSA-N
XLogP7.37
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.48
LogP ≤ 57.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9-[3-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,9a-dihydrocarbazole
CID 166917692
9-[4-[4-[4-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)phenyl]phenyl]phenyl]-1,9a-dihydrocarbazole
CID 143136477
6-[4-methyl-3-(2-methylphenyl)phenyl]-9-(4-phenylphenyl)-1,9a-dihydrocarbazole
CID 167230365
2-[5-(1,9a-dihydrocarbazol-9-yl)-2-phenylcarbazol-9-yl]cyclohexa-2,4-diene-1-carbonitrile
CID 146518397
3-phenyl-9-[10-[9-[10-(6-phenyl-1,9a-dihydrocarbazol-9-yl)anthracen-9-yl]dibenzofuran-2-yl]anthracen-9-yl]carbazole
CID 163496635
2-naphthalen-2-yl-6-(3-naphthalen-2-yl-5-phenylphenyl)anthracene
CID 143886275
2,7-diphenylanthracene
CID 154020316
7-[2-(4-methylphenyl)phenyl]-9-naphtho[2,1-b][1]benzothiol-10-yl-1,9a-dihydrocarbazole
CID 144907494
10-phenyl-1,10a-dihydrophenoxazine
CID 126627487
9-naphthalen-2-yl-14-[4-(4-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,15,17,19-octaene
CID 167246643
9-[4-[6-[4-(1,9a-dihydrocarbazol-9-yl)phenyl]dibenzothiophen-4-yl]phenyl]carbazole
CID 90337088
2-cyclohexa-1,3-dien-1-yl-4-[4-[7-[4-(1,2-diphenyl-2H-1,3-diazet-4-yl)phenyl]naphthalen-2-yl]phenyl]-6-phenyl-1,3,5-triazine
CID 174312386

Frequently Asked Questions

What is the IUPAC name of 5,9-diphenyl-4,4a-dihydrobenzo[b]carbazole?
The IUPAC name of 5,9-diphenyl-4,4a-dihydrobenzo[b]carbazole (CID 91156957) is 5,9-diphenyl-4,4a-dihydrobenzo[b]carbazole.
What is the SMILES notation for 5,9-diphenyl-4,4a-dihydrobenzo[b]carbazole?
The canonical SMILES for 5,9-diphenyl-4,4a-dihydrobenzo[b]carbazole is C1=CCC2C(=C1)c1cc3cc(-c4ccccc4)ccc3cc1N2c1ccccc1.
What is the InChIKey of 5,9-diphenyl-4,4a-dihydrobenzo[b]carbazole?
The InChIKey is HFEMNLUXONUXQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21N/c1-3-9-20(10-4-1)21-15-16-22-19-28-26(18-23(22)17-21)25-13-7-8-14-27(25)29(28)24-11-5-2-6-12-24/h1-13,15-19,27H,14H2.
What are the key properties of 5,9-diphenyl-4,4a-dihydrobenzo[b]carbazole?
5,9-diphenyl-4,4a-dihydrobenzo[b]carbazole has a molecular weight of 371.48 g/mol, XLogP of 7.37, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,9-diphenyl-4,4a-dihydrobenzo[b]carbazole is sourced from PubChem (CID 91156957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).