4,5-dihydro-3H-benzo[b]carbazole

C16H13N — CID 143022573

IUPAC4,5-dihydro-3H-benzo[b]carbazole
SMILESC1=Cc2c([nH]c3cc4ccccc4cc23)CC1
InChIInChI=1S/C16H13N/c1-2-6-12-10-16-14(9-11(12)5-1)13-7-3-4-8-15(13)17-16/h1-3,5-7,9-10,17H,4,8H2
InChIKeyMYCKAVWOSXQKCY-UHFFFAOYSA-N
MW219.29 g/mol
LogP4.28
Rot. Bonds

About 4,5-dihydro-3H-benzo[b]carbazole

4,5-dihydro-3H-benzo[b]carbazole (PubChem CID 143022573) has the molecular formula C16H13N and a molecular weight of 219.29 g/mol. Its IUPAC name is 4,5-dihydro-3H-benzo[b]carbazole.

Molecular Properties

Compound Name4,5-dihydro-3H-benzo[b]carbazole
PubChem CID143022573
Molecular FormulaC16H13N
Molecular Weight219.29 g/mol
Exact Mass219.10
IUPAC Name4,5-dihydro-3H-benzo[b]carbazole
SMILESC1=Cc2c([nH]c3cc4ccccc4cc23)CC1
InChIInChI=1S/C16H13N/c1-2-6-12-10-16-14(9-11(12)5-1)13-7-3-4-8-15(13)17-16/h1-3,5-7,9-10,17H,4,8H2
InChIKeyMYCKAVWOSXQKCY-UHFFFAOYSA-N
XLogP4.28
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 148952358
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CID 142461107
2-(8,9-dihydro-7H-carbazol-3-yl)-9-phenylcarbazole
CID 144579264
1,2-dihydrotetracene
CID 526645
CID 144989571
CID 144989571
5-(4-phenylphenyl)-3,4-dihydrobenzo[b]carbazole
CID 144920025
heptacyclo[13.11.1.12,10.04,9.017,22.023,27.014,28]octacosa-1(27),2,4,6,8,10(28),11,13,15,17(22),20,23,25-tridecaene
CID 143133599
N-[4-(8,9-dihydro-7H-carbazol-3-yl)-6-methylcyclohexa-1,3-dien-1-yl]-N-phenyl-2-(trifluoromethyl)aniline
CID 159027804
1,2-dihydrophenanthrene;methane
CID 142233557
CID 175958969
CID 175958969
14-oxa-16-azatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15),12-heptaene
CID 155282228
5-methyl-4,10-dihydro-3H-acridin-9-one
CID 67876070

Frequently Asked Questions

What is the IUPAC name of 4,5-dihydro-3H-benzo[b]carbazole?
The IUPAC name of 4,5-dihydro-3H-benzo[b]carbazole (CID 143022573) is 4,5-dihydro-3H-benzo[b]carbazole.
What is the SMILES notation for 4,5-dihydro-3H-benzo[b]carbazole?
The canonical SMILES for 4,5-dihydro-3H-benzo[b]carbazole is C1=Cc2c([nH]c3cc4ccccc4cc23)CC1.
What is the InChIKey of 4,5-dihydro-3H-benzo[b]carbazole?
The InChIKey is MYCKAVWOSXQKCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N/c1-2-6-12-10-16-14(9-11(12)5-1)13-7-3-4-8-15(13)17-16/h1-3,5-7,9-10,17H,4,8H2.
What are the key properties of 4,5-dihydro-3H-benzo[b]carbazole?
4,5-dihydro-3H-benzo[b]carbazole has a molecular weight of 219.29 g/mol, XLogP of 4.28, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydro-3H-benzo[b]carbazole is sourced from PubChem (CID 143022573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).