N-carbazol-9-yl-8H-cyclohepta[b]indol-5-amine

C25H19N3 — CID 143267278

IUPACN-carbazol-9-yl-8H-cyclohepta[b]indol-5-amine
SMILESC1=Cc2c(n(Nn3c4ccccc4c4ccccc43)c3ccccc23)C=CC1
InChIInChI=1S/C25H19N3/c1-2-10-18-19-11-4-7-15-23(19)27(22(18)14-3-1)26-28-24-16-8-5-12-20(24)21-13-6-9-17-25(21)28/h2-17,26H,1H2
InChIKeyKTIKXWCEIJYCKP-UHFFFAOYSA-N
MW361.45 g/mol
LogP6.19
Rot. Bonds2

About N-carbazol-9-yl-8H-cyclohepta[b]indol-5-amine

N-carbazol-9-yl-8H-cyclohepta[b]indol-5-amine (PubChem CID 143267278) has the molecular formula C25H19N3 and a molecular weight of 361.45 g/mol. Its IUPAC name is N-carbazol-9-yl-8H-cyclohepta[b]indol-5-amine.

Molecular Properties

Compound NameN-carbazol-9-yl-8H-cyclohepta[b]indol-5-amine
PubChem CID143267278
Molecular FormulaC25H19N3
Molecular Weight361.45 g/mol
Exact Mass361.16
IUPAC NameN-carbazol-9-yl-8H-cyclohepta[b]indol-5-amine
SMILESC1=Cc2c(n(Nn3c4ccccc4c4ccccc43)c3ccccc23)C=CC1
InChIInChI=1S/C25H19N3/c1-2-10-18-19-11-4-7-15-23(19)27(22(18)14-3-1)26-28-24-16-8-5-12-20(24)21-13-6-9-17-25(21)28/h2-17,26H,1H2
InChIKeyKTIKXWCEIJYCKP-UHFFFAOYSA-N
XLogP6.19
TPSA21.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.45
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-carbazol-9-yl-8H-cyclohepta[b]indol-5-amine?
The IUPAC name of N-carbazol-9-yl-8H-cyclohepta[b]indol-5-amine (CID 143267278) is N-carbazol-9-yl-8H-cyclohepta[b]indol-5-amine.
What is the SMILES notation for N-carbazol-9-yl-8H-cyclohepta[b]indol-5-amine?
The canonical SMILES for N-carbazol-9-yl-8H-cyclohepta[b]indol-5-amine is C1=Cc2c(n(Nn3c4ccccc4c4ccccc43)c3ccccc23)C=CC1.
What is the InChIKey of N-carbazol-9-yl-8H-cyclohepta[b]indol-5-amine?
The InChIKey is KTIKXWCEIJYCKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N3/c1-2-10-18-19-11-4-7-15-23(19)27(22(18)14-3-1)26-28-24-16-8-5-12-20(24)21-13-6-9-17-25(21)28/h2-17,26H,1H2.
What are the key properties of N-carbazol-9-yl-8H-cyclohepta[b]indol-5-amine?
N-carbazol-9-yl-8H-cyclohepta[b]indol-5-amine has a molecular weight of 361.45 g/mol, XLogP of 6.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbazol-9-yl-8H-cyclohepta[b]indol-5-amine is sourced from PubChem (CID 143267278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).