3-[2-(3-bromophenoxy)carbazol-9-yl]-5-phenylpyrido[4,3-b]indole

C35H22BrN3O — CID 156781111

IUPAC3-[2-(3-bromophenoxy)carbazol-9-yl]-5-phenylpyrido[4,3-b]indole
SMILESBrc1cccc(Oc2ccc3c4ccccc4n(-c4cc5c(cn4)c4ccccc4n5-c4ccccc4)c3c2)c1
InChIInChI=1S/C35H22BrN3O/c36-23-9-8-12-25(19-23)40-26-17-18-29-27-13-4-7-16-32(27)39(33(29)20-26)35-21-34-30(22-37-35)28-14-5-6-15-31(28)38(34)24-10-2-1-3-11-24/h1-22H
InChIKeyUENLNBZNXHLZJD-UHFFFAOYSA-N
MW580.49 g/mol
LogP9.83
Rot. Bonds4

About 3-[2-(3-bromophenoxy)carbazol-9-yl]-5-phenylpyrido[4,3-b]indole

3-[2-(3-bromophenoxy)carbazol-9-yl]-5-phenylpyrido[4,3-b]indole (PubChem CID 156781111) has the molecular formula C35H22BrN3O and a molecular weight of 580.49 g/mol. Its IUPAC name is 3-[2-(3-bromophenoxy)carbazol-9-yl]-5-phenylpyrido[4,3-b]indole.

Molecular Properties

Compound Name3-[2-(3-bromophenoxy)carbazol-9-yl]-5-phenylpyrido[4,3-b]indole
PubChem CID156781111
Molecular FormulaC35H22BrN3O
Molecular Weight580.49 g/mol
Exact Mass579.09
IUPAC Name3-[2-(3-bromophenoxy)carbazol-9-yl]-5-phenylpyrido[4,3-b]indole
SMILESBrc1cccc(Oc2ccc3c4ccccc4n(-c4cc5c(cn4)c4ccccc4n5-c4ccccc4)c3c2)c1
InChIInChI=1S/C35H22BrN3O/c36-23-9-8-12-25(19-23)40-26-17-18-29-27-13-4-7-16-32(27)39(33(29)20-26)35-21-34-30(22-37-35)28-14-5-6-15-31(28)38(34)24-10-2-1-3-11-24/h1-22H
InChIKeyUENLNBZNXHLZJD-UHFFFAOYSA-N
XLogP9.83
TPSA31.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.49
LogP ≤ 59.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-bromophenoxy)carbazol-9-yl]-5-phenylpyrido[4,3-b]indole?
The IUPAC name of 3-[2-(3-bromophenoxy)carbazol-9-yl]-5-phenylpyrido[4,3-b]indole (CID 156781111) is 3-[2-(3-bromophenoxy)carbazol-9-yl]-5-phenylpyrido[4,3-b]indole.
What is the SMILES notation for 3-[2-(3-bromophenoxy)carbazol-9-yl]-5-phenylpyrido[4,3-b]indole?
The canonical SMILES for 3-[2-(3-bromophenoxy)carbazol-9-yl]-5-phenylpyrido[4,3-b]indole is Brc1cccc(Oc2ccc3c4ccccc4n(-c4cc5c(cn4)c4ccccc4n5-c4ccccc4)c3c2)c1.
What is the InChIKey of 3-[2-(3-bromophenoxy)carbazol-9-yl]-5-phenylpyrido[4,3-b]indole?
The InChIKey is UENLNBZNXHLZJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H22BrN3O/c36-23-9-8-12-25(19-23)40-26-17-18-29-27-13-4-7-16-32(27)39(33(29)20-26)35-21-34-30(22-37-35)28-14-5-6-15-31(28)38(34)24-10-2-1-3-11-24/h1-22H.
What are the key properties of 3-[2-(3-bromophenoxy)carbazol-9-yl]-5-phenylpyrido[4,3-b]indole?
3-[2-(3-bromophenoxy)carbazol-9-yl]-5-phenylpyrido[4,3-b]indole has a molecular weight of 580.49 g/mol, XLogP of 9.83, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-bromophenoxy)carbazol-9-yl]-5-phenylpyrido[4,3-b]indole is sourced from PubChem (CID 156781111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).