2-phenyl-N-(9-phenylcarbazol-1-yl)-N-(2-phenylphenyl)-[1]benzofuro[3,2-f][1,3]benzoxazol-8-amine

C49H31N3O2 — CID 167129198

IUPAC2-phenyl-N-(9-phenylcarbazol-1-yl)-N-(2-phenylphenyl)-[1]benzofuro[3,2-f][1,3]benzoxazol-8-amine
SMILESc1ccc(-c2nc3cc4c(cc3o2)oc2c(N(c3ccccc3-c3ccccc3)c3cccc5c6ccccc6n(-c6ccccc6)c35)cccc24)cc1
InChIInChI=1S/C49H31N3O2/c1-4-16-32(17-5-1)35-22-10-12-26-41(35)52(43-28-14-24-37-36-23-11-13-27-42(36)51(47(37)43)34-20-8-3-9-21-34)44-29-15-25-38-39-30-40-46(31-45(39)53-48(38)44)54-49(50-40)33-18-6-2-7-19-33/h1-31H
InChIKeyLHDWNRHQLLDIOL-UHFFFAOYSA-N
MW693.81 g/mol
LogP13.63
Rot. Bonds6

About 2-phenyl-N-(9-phenylcarbazol-1-yl)-N-(2-phenylphenyl)-[1]benzofuro[3,2-f][1,3]benzoxazol-8-amine

2-phenyl-N-(9-phenylcarbazol-1-yl)-N-(2-phenylphenyl)-[1]benzofuro[3,2-f][1,3]benzoxazol-8-amine (PubChem CID 167129198) has the molecular formula C49H31N3O2 and a molecular weight of 693.81 g/mol. Its IUPAC name is 2-phenyl-N-(9-phenylcarbazol-1-yl)-N-(2-phenylphenyl)-[1]benzofuro[3,2-f][1,3]benzoxazol-8-amine.

Molecular Properties

Compound Name2-phenyl-N-(9-phenylcarbazol-1-yl)-N-(2-phenylphenyl)-[1]benzofuro[3,2-f][1,3]benzoxazol-8-amine
PubChem CID167129198
Molecular FormulaC49H31N3O2
Molecular Weight693.81 g/mol
Exact Mass693.24
IUPAC Name2-phenyl-N-(9-phenylcarbazol-1-yl)-N-(2-phenylphenyl)-[1]benzofuro[3,2-f][1,3]benzoxazol-8-amine
SMILESc1ccc(-c2nc3cc4c(cc3o2)oc2c(N(c3ccccc3-c3ccccc3)c3cccc5c6ccccc6n(-c6ccccc6)c35)cccc24)cc1
InChIInChI=1S/C49H31N3O2/c1-4-16-32(17-5-1)35-22-10-12-26-41(35)52(43-28-14-24-37-36-23-11-13-27-42(36)51(47(37)43)34-20-8-3-9-21-34)44-29-15-25-38-39-30-40-46(31-45(39)53-48(38)44)54-49(50-40)33-18-6-2-7-19-33/h1-31H
InChIKeyLHDWNRHQLLDIOL-UHFFFAOYSA-N
XLogP13.63
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500693.81
LogP ≤ 513.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-6-yl)phenyl]-N-(3-phenylphenyl)carbazol-1-amine
CID 167130031
N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-4-amine
CID 164790749
N-dibenzofuran-4-yl-2-phenyl-N-(9-phenylcarbazol-2-yl)-[1]benzofuro[2,3-f][1,3]benzoxazol-7-amine
CID 170776846
N-dibenzofuran-4-yl-2-phenyl-N-(9-phenylcarbazol-2-yl)-[1]benzofuro[2,3-f][1,3]benzoxazol-6-amine
CID 167128479
N-(2-naphthalen-2-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-f][1,3]benzoxazol-8-amine
CID 167128220
N,2-diphenyl-N-(9-phenylcarbazol-1-yl)-[1]benzofuro[3,2-e][1,3]benzoxazol-7-amine
CID 167123592
N-(2-naphthalen-1-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-f][1,3]benzoxazol-8-amine
CID 167127217
N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-2-amine;N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-3-amine;N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-4-amine
CID 165081556
9-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-7-yl)phenyl]-N-(2-phenylphenyl)carbazol-3-amine
CID 167130106
9-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-10-yl)phenyl]-N-(4-phenylphenyl)carbazol-1-amine
CID 167128927
N-(2-dibenzofuran-4-ylphenyl)-N-[2-(9-phenylcarbazol-1-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 170298442
N-dibenzofuran-3-yl-2-phenyl-N-(9-phenylcarbazol-4-yl)-[1]benzofuro[3,2-f][1,3]benzoxazol-7-amine
CID 167128284

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-(9-phenylcarbazol-1-yl)-N-(2-phenylphenyl)-[1]benzofuro[3,2-f][1,3]benzoxazol-8-amine?
The IUPAC name of 2-phenyl-N-(9-phenylcarbazol-1-yl)-N-(2-phenylphenyl)-[1]benzofuro[3,2-f][1,3]benzoxazol-8-amine (CID 167129198) is 2-phenyl-N-(9-phenylcarbazol-1-yl)-N-(2-phenylphenyl)-[1]benzofuro[3,2-f][1,3]benzoxazol-8-amine.
What is the SMILES notation for 2-phenyl-N-(9-phenylcarbazol-1-yl)-N-(2-phenylphenyl)-[1]benzofuro[3,2-f][1,3]benzoxazol-8-amine?
The canonical SMILES for 2-phenyl-N-(9-phenylcarbazol-1-yl)-N-(2-phenylphenyl)-[1]benzofuro[3,2-f][1,3]benzoxazol-8-amine is c1ccc(-c2nc3cc4c(cc3o2)oc2c(N(c3ccccc3-c3ccccc3)c3cccc5c6ccccc6n(-c6ccccc6)c35)cccc24)cc1.
What is the InChIKey of 2-phenyl-N-(9-phenylcarbazol-1-yl)-N-(2-phenylphenyl)-[1]benzofuro[3,2-f][1,3]benzoxazol-8-amine?
The InChIKey is LHDWNRHQLLDIOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H31N3O2/c1-4-16-32(17-5-1)35-22-10-12-26-41(35)52(43-28-14-24-37-36-23-11-13-27-42(36)51(47(37)43)34-20-8-3-9-21-34)44-29-15-25-38-39-30-40-46(31-45(39)53-48(38)44)54-49(50-40)33-18-6-2-7-19-33/h1-31H.
What are the key properties of 2-phenyl-N-(9-phenylcarbazol-1-yl)-N-(2-phenylphenyl)-[1]benzofuro[3,2-f][1,3]benzoxazol-8-amine?
2-phenyl-N-(9-phenylcarbazol-1-yl)-N-(2-phenylphenyl)-[1]benzofuro[3,2-f][1,3]benzoxazol-8-amine has a molecular weight of 693.81 g/mol, XLogP of 13.63, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-(9-phenylcarbazol-1-yl)-N-(2-phenylphenyl)-[1]benzofuro[3,2-f][1,3]benzoxazol-8-amine is sourced from PubChem (CID 167129198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).