9-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-7-yl)phenyl]-N-(2-phenylphenyl)carbazol-3-amine

C55H35N3O2 — CID 167130106

IUPAC9-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-7-yl)phenyl]-N-(2-phenylphenyl)carbazol-3-amine
SMILESc1ccc(-c2nc3cc4oc5cc(-c6ccc(N(c7ccc8c(c7)c7ccccc7n8-c7ccccc7)c7ccccc7-c7ccccc7)cc6)ccc5c4cc3o2)cc1
InChIInChI=1S/C55H35N3O2/c1-4-14-37(15-5-1)43-20-10-12-22-49(43)57(42-29-31-51-46(33-42)44-21-11-13-23-50(44)58(51)40-18-8-3-9-19-40)41-27-24-36(25-28-41)39-26-30-45-47-34-54-48(35-53(47)59-52(45)32-39)56-55(60-54)38-16-6-2-7-17-38/h1-35H
InChIKeyQBYSFDDSPPKMTB-UHFFFAOYSA-N
MW769.90 g/mol
LogP15.30
Rot. Bonds7

About 9-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-7-yl)phenyl]-N-(2-phenylphenyl)carbazol-3-amine

9-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-7-yl)phenyl]-N-(2-phenylphenyl)carbazol-3-amine (PubChem CID 167130106) has the molecular formula C55H35N3O2 and a molecular weight of 769.90 g/mol. Its IUPAC name is 9-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-7-yl)phenyl]-N-(2-phenylphenyl)carbazol-3-amine.

Molecular Properties

Compound Name9-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-7-yl)phenyl]-N-(2-phenylphenyl)carbazol-3-amine
PubChem CID167130106
Molecular FormulaC55H35N3O2
Molecular Weight769.90 g/mol
Exact Mass769.27
IUPAC Name9-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-7-yl)phenyl]-N-(2-phenylphenyl)carbazol-3-amine
SMILESc1ccc(-c2nc3cc4oc5cc(-c6ccc(N(c7ccc8c(c7)c7ccccc7n8-c7ccccc7)c7ccccc7-c7ccccc7)cc6)ccc5c4cc3o2)cc1
InChIInChI=1S/C55H35N3O2/c1-4-14-37(15-5-1)43-20-10-12-22-49(43)57(42-29-31-51-46(33-42)44-21-11-13-23-50(44)58(51)40-18-8-3-9-19-40)41-27-24-36(25-28-41)39-26-30-45-47-34-54-48(35-53(47)59-52(45)32-39)56-55(60-54)38-16-6-2-7-17-38/h1-35H
InChIKeyQBYSFDDSPPKMTB-UHFFFAOYSA-N
XLogP15.30
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500769.90
LogP ≤ 515.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-phenyl-N-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-7-amine
CID 167127385
N-dibenzofuran-1-yl-2-phenyl-N-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-f][1,3]benzoxazol-7-amine
CID 167128330
9-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-7-yl)phenyl]-N-(3-phenylphenyl)carbazol-2-amine
CID 167130122
N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-7-yl)phenyl]-N-(2-phenylphenyl)phenanthren-3-amine
CID 167129332
2-phenyl-N-(9-phenylcarbazol-3-yl)-N-(2-phenylphenyl)-[1]benzofuro[2,3-g][1,3]benzoxazol-8-amine
CID 167125257
N-dibenzofuran-1-yl-2-phenyl-N-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-f][1,3]benzoxazol-6-amine
CID 167128648
2-phenyl-N-(9-phenylcarbazol-3-yl)-N-(3-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-6-amine
CID 167128694
N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-7-yl)phenyl]-N,2-bis(4-phenylphenyl)aniline
CID 167127227
N-[4-(3-carbazol-9-ylphenyl)phenyl]-2-phenyl-N-[4-(7-phenyldibenzofuran-3-yl)phenyl]aniline
CID 153315203
N-dibenzofuran-4-yl-2-phenyl-N-(9-phenylcarbazol-2-yl)-[1]benzofuro[2,3-f][1,3]benzoxazol-6-amine
CID 167128479
N-dibenzofuran-3-yl-2-phenyl-N-(9-phenylcarbazol-2-yl)-[1]benzofuro[2,3-f][1,3]benzoxazol-6-amine
CID 167127943
bis(N-dibenzofuran-1-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-2-amine);N-dibenzofuran-1-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-3-amine;N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-1-amine
CID 158442979

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-7-yl)phenyl]-N-(2-phenylphenyl)carbazol-3-amine?
The IUPAC name of 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) is 9-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-7-yl)phenyl]-N-(2-phenylphenyl)carbazol-3-amine.
What is the SMILES notation for 9-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-7-yl)phenyl]-N-(2-phenylphenyl)carbazol-3-amine?
The canonical SMILES for 9-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-7-yl)phenyl]-N-(2-phenylphenyl)carbazol-3-amine is c1ccc(-c2nc3cc4oc5cc(-c6ccc(N(c7ccc8c(c7)c7ccccc7n8-c7ccccc7)c7ccccc7-c7ccccc7)cc6)ccc5c4cc3o2)cc1.
What is the InChIKey of 9-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-7-yl)phenyl]-N-(2-phenylphenyl)carbazol-3-amine?
The InChIKey is QBYSFDDSPPKMTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H35N3O2/c1-4-14-37(15-5-1)43-20-10-12-22-49(43)57(42-29-31-51-46(33-42)44-21-11-13-23-50(44)58(51)40-18-8-3-9-19-40)41-27-24-36(25-28-41)39-26-30-45-47-34-54-48(35-53(47)59-52(45)32-39)56-55(60-54)38-16-6-2-7-17-38/h1-35H.
What are the key properties of 9-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-7-yl)phenyl]-N-(2-phenylphenyl)carbazol-3-amine?
9-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-7-yl)phenyl]-N-(2-phenylphenyl)carbazol-3-amine has a molecular weight of 769.90 g/mol, XLogP of 15.30, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-7-yl)phenyl]-N-(2-phenylphenyl)carbazol-3-amine is sourced from PubChem (CID 167130106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).