2-phenyl-N-(9-phenylcarbazol-1-yl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzoxazol-4-amine

C49H31N3O2 — CID 167123589

IUPAC2-phenyl-N-(9-phenylcarbazol-1-yl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzoxazol-4-amine
SMILESc1ccc(-c2ccc(N(c3cc4oc5ccccc5c4c4nc(-c5ccccc5)oc34)c3cccc4c5ccccc5n(-c5ccccc5)c34)cc2)cc1
InChIInChI=1S/C49H31N3O2/c1-4-15-32(16-5-1)33-27-29-36(30-28-33)51(41-25-14-23-38-37-21-10-12-24-40(37)52(47(38)41)35-19-8-3-9-20-35)42-31-44-45(39-22-11-13-26-43(39)53-44)46-48(42)54-49(50-46)34-17-6-2-7-18-34/h1-31H
InChIKeyUTALCGNMCYKDRD-UHFFFAOYSA-N
MW693.81 g/mol
LogP13.63
Rot. Bonds6

About 2-phenyl-N-(9-phenylcarbazol-1-yl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzoxazol-4-amine

2-phenyl-N-(9-phenylcarbazol-1-yl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzoxazol-4-amine (PubChem CID 167123589) 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-(4-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzoxazol-4-amine.

Molecular Properties

Compound Name2-phenyl-N-(9-phenylcarbazol-1-yl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzoxazol-4-amine
PubChem CID167123589
Molecular FormulaC49H31N3O2
Molecular Weight693.81 g/mol
Exact Mass693.24
IUPAC Name2-phenyl-N-(9-phenylcarbazol-1-yl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzoxazol-4-amine
SMILESc1ccc(-c2ccc(N(c3cc4oc5ccccc5c4c4nc(-c5ccccc5)oc34)c3cccc4c5ccccc5n(-c5ccccc5)c34)cc2)cc1
InChIInChI=1S/C49H31N3O2/c1-4-15-32(16-5-1)33-27-29-36(30-28-33)51(41-25-14-23-38-37-21-10-12-24-40(37)52(47(38)41)35-19-8-3-9-20-35)42-31-44-45(39-22-11-13-26-43(39)53-44)46-48(42)54-49(50-46)34-17-6-2-7-18-34/h1-31H
InChIKeyUTALCGNMCYKDRD-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

N-dibenzofuran-1-yl-2-phenyl-N-(9-phenylcarbazol-1-yl)-[1]benzofuro[2,3-g][1,3]benzoxazol-8-amine
CID 167125219
9-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-9-yl)phenyl]-N-(3-phenylphenyl)carbazol-1-amine
CID 167124903
N,2-diphenyl-N-(9-phenylcarbazol-1-yl)-[1]benzofuro[3,2-e][1,3]benzoxazol-7-amine
CID 167123592
N-dibenzofuran-2-yl-2-phenyl-N-(9-phenylcarbazol-1-yl)-[1]benzofuro[3,2-e][1,3]benzoxazol-8-amine
CID 167125018
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-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-9-phenyl-N-(3-phenylphenyl)carbazol-1-amine
CID 170033639
N-dibenzofuran-3-yl-9-phenyl-N-(4-phenylphenyl)carbazol-1-amine
CID 164790550
N-dibenzofuran-1-yl-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[2,3-g][1,3]benzoxazol-4-amine
CID 167124362
N-phenanthren-9-yl-N-[4-(9-phenylcarbazol-1-yl)phenyl]dibenzofuran-1-amine
CID 164790835
N-dibenzothiophen-3-yl-2-phenyl-N-(9-phenylcarbazol-1-yl)-[1]benzofuro[3,2-e][1,3]benzoxazol-8-amine
CID 167123209
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
5-(9-phenylcarbazol-1-yl)-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-11-amine
CID 176795873

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-(9-phenylcarbazol-1-yl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzoxazol-4-amine?
The IUPAC name of 2-phenyl-N-(9-phenylcarbazol-1-yl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzoxazol-4-amine (CID 167123589) is 2-phenyl-N-(9-phenylcarbazol-1-yl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzoxazol-4-amine.
What is the SMILES notation for 2-phenyl-N-(9-phenylcarbazol-1-yl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzoxazol-4-amine?
The canonical SMILES for 2-phenyl-N-(9-phenylcarbazol-1-yl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzoxazol-4-amine is c1ccc(-c2ccc(N(c3cc4oc5ccccc5c4c4nc(-c5ccccc5)oc34)c3cccc4c5ccccc5n(-c5ccccc5)c34)cc2)cc1.
What is the InChIKey of 2-phenyl-N-(9-phenylcarbazol-1-yl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzoxazol-4-amine?
The InChIKey is UTALCGNMCYKDRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H31N3O2/c1-4-15-32(16-5-1)33-27-29-36(30-28-33)51(41-25-14-23-38-37-21-10-12-24-40(37)52(47(38)41)35-19-8-3-9-20-35)42-31-44-45(39-22-11-13-26-43(39)53-44)46-48(42)54-49(50-46)34-17-6-2-7-18-34/h1-31H.
What are the key properties of 2-phenyl-N-(9-phenylcarbazol-1-yl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzoxazol-4-amine?
2-phenyl-N-(9-phenylcarbazol-1-yl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzoxazol-4-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-(4-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzoxazol-4-amine is sourced from PubChem (CID 167123589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).