N-(7-bromo-9-butylcarbazol-2-yl)-1,1-diphenylmethanimine

C29H25BrN2 — CID 134281226

IUPACN-(7-bromo-9-butylcarbazol-2-yl)-1,1-diphenylmethanimine
SMILESCCCCn1c2cc(Br)ccc2c2ccc(N=C(c3ccccc3)c3ccccc3)cc21
InChIInChI=1S/C29H25BrN2/c1-2-3-18-32-27-19-23(30)14-16-25(27)26-17-15-24(20-28(26)32)31-29(21-10-6-4-7-11-21)22-12-8-5-9-13-22/h4-17,19-20H,2-3,18H2,1H3
InChIKeyNGTBXGNNGJUQQJ-UHFFFAOYSA-N
MW481.44 g/mol
LogP8.53
Rot. Bonds6

About N-(7-bromo-9-butylcarbazol-2-yl)-1,1-diphenylmethanimine

N-(7-bromo-9-butylcarbazol-2-yl)-1,1-diphenylmethanimine (PubChem CID 134281226) has the molecular formula C29H25BrN2 and a molecular weight of 481.44 g/mol. Its IUPAC name is N-(7-bromo-9-butylcarbazol-2-yl)-1,1-diphenylmethanimine.

Molecular Properties

Compound NameN-(7-bromo-9-butylcarbazol-2-yl)-1,1-diphenylmethanimine
PubChem CID134281226
Molecular FormulaC29H25BrN2
Molecular Weight481.44 g/mol
Exact Mass480.12
IUPAC NameN-(7-bromo-9-butylcarbazol-2-yl)-1,1-diphenylmethanimine
SMILESCCCCn1c2cc(Br)ccc2c2ccc(N=C(c3ccccc3)c3ccccc3)cc21
InChIInChI=1S/C29H25BrN2/c1-2-3-18-32-27-19-23(30)14-16-25(27)26-17-15-24(20-28(26)32)31-29(21-10-6-4-7-11-21)22-12-8-5-9-13-22/h4-17,19-20H,2-3,18H2,1H3
InChIKeyNGTBXGNNGJUQQJ-UHFFFAOYSA-N
XLogP8.53
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.44
LogP ≤ 58.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(7-bromo-9-butylcarbazol-2-yl)-1,1-diphenylmethanimine?
The IUPAC name of N-(7-bromo-9-butylcarbazol-2-yl)-1,1-diphenylmethanimine (CID 134281226) is N-(7-bromo-9-butylcarbazol-2-yl)-1,1-diphenylmethanimine.
What is the SMILES notation for N-(7-bromo-9-butylcarbazol-2-yl)-1,1-diphenylmethanimine?
The canonical SMILES for N-(7-bromo-9-butylcarbazol-2-yl)-1,1-diphenylmethanimine is CCCCn1c2cc(Br)ccc2c2ccc(N=C(c3ccccc3)c3ccccc3)cc21.
What is the InChIKey of N-(7-bromo-9-butylcarbazol-2-yl)-1,1-diphenylmethanimine?
The InChIKey is NGTBXGNNGJUQQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25BrN2/c1-2-3-18-32-27-19-23(30)14-16-25(27)26-17-15-24(20-28(26)32)31-29(21-10-6-4-7-11-21)22-12-8-5-9-13-22/h4-17,19-20H,2-3,18H2,1H3.
What are the key properties of N-(7-bromo-9-butylcarbazol-2-yl)-1,1-diphenylmethanimine?
N-(7-bromo-9-butylcarbazol-2-yl)-1,1-diphenylmethanimine has a molecular weight of 481.44 g/mol, XLogP of 8.53, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-bromo-9-butylcarbazol-2-yl)-1,1-diphenylmethanimine is sourced from PubChem (CID 134281226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).