N-(4-naphthalen-1-ylphenyl)-2-phenyl-N-(9-phenyl-4b,8a-dihydrocarbazol-2-yl)benzo[e][1,3]benzoxazol-5-amine

C51H35N3O — CID 170026171

IUPACN-(4-naphthalen-1-ylphenyl)-2-phenyl-N-(9-phenyl-4b,8a-dihydrocarbazol-2-yl)benzo[e][1,3]benzoxazol-5-amine
SMILESC1=CC2c3ccc(N(c4ccc(-c5cccc6ccccc56)cc4)c4cc5oc(-c6ccccc6)nc5c5ccccc45)cc3N(c3ccccc3)C2C=C1
InChIInChI=1S/C51H35N3O/c1-3-15-36(16-4-1)51-52-50-45-23-10-9-22-43(45)48(33-49(50)55-51)53(38-28-26-35(27-29-38)41-24-13-17-34-14-7-8-20-40(34)41)39-30-31-44-42-21-11-12-25-46(42)54(47(44)32-39)37-18-5-2-6-19-37/h1-33,42,46H
InChIKeyHTGYXIZIOMWHRR-UHFFFAOYSA-N
MW705.86 g/mol
LogP13.67
Rot. Bonds6

About N-(4-naphthalen-1-ylphenyl)-2-phenyl-N-(9-phenyl-4b,8a-dihydrocarbazol-2-yl)benzo[e][1,3]benzoxazol-5-amine

N-(4-naphthalen-1-ylphenyl)-2-phenyl-N-(9-phenyl-4b,8a-dihydrocarbazol-2-yl)benzo[e][1,3]benzoxazol-5-amine (PubChem CID 170026171) has the molecular formula C51H35N3O and a molecular weight of 705.86 g/mol. Its IUPAC name is N-(4-naphthalen-1-ylphenyl)-2-phenyl-N-(9-phenyl-4b,8a-dihydrocarbazol-2-yl)benzo[e][1,3]benzoxazol-5-amine.

Molecular Properties

Compound NameN-(4-naphthalen-1-ylphenyl)-2-phenyl-N-(9-phenyl-4b,8a-dihydrocarbazol-2-yl)benzo[e][1,3]benzoxazol-5-amine
PubChem CID170026171
Molecular FormulaC51H35N3O
Molecular Weight705.86 g/mol
Exact Mass705.28
IUPAC NameN-(4-naphthalen-1-ylphenyl)-2-phenyl-N-(9-phenyl-4b,8a-dihydrocarbazol-2-yl)benzo[e][1,3]benzoxazol-5-amine
SMILESC1=CC2c3ccc(N(c4ccc(-c5cccc6ccccc56)cc4)c4cc5oc(-c6ccccc6)nc5c5ccccc45)cc3N(c3ccccc3)C2C=C1
InChIInChI=1S/C51H35N3O/c1-3-15-36(16-4-1)51-52-50-45-23-10-9-22-43(45)48(33-49(50)55-51)53(38-28-26-35(27-29-38)41-24-13-17-34-14-7-8-20-40(34)41)39-30-31-44-42-21-11-12-25-46(42)54(47(44)32-39)37-18-5-2-6-19-37/h1-33,42,46H
InChIKeyHTGYXIZIOMWHRR-UHFFFAOYSA-N
XLogP13.67
TPSA32.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500705.86
LogP ≤ 513.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-naphthalen-2-yl-N-[4-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]naphthalen-1-yl]-9-phenyl-4b,8a-dihydrocarbazol-3-amine
CID 70918178
N-(4-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)-2-(4-phenylphenyl)benzo[e][1,3]benzoxazol-5-amine
CID 170424937
N-(4-benzo[e][1,3]benzoxazol-2-ylphenyl)-9-phenyl-N-(2-phenylphenyl)carbazol-2-amine
CID 170028823
N-(3-naphthalen-1-ylphenyl)-N-(2-phenylphenyl)-5-[2-(4-phenylphenyl)benzo[e][1,3]benzoxazol-5-yl]naphthalen-1-amine
CID 171410556
4-phenyl-N-[4-(9-phenyl-4b,8a-dihydrocarbazol-2-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 131993919
N-[3-(5-phenyl-4a,11b-dihydrobenzo[b]carbazol-11-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]phenanthren-9-amine
CID 167196150
4-[2-(4a,9a-dihydrocarbazol-9-yl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-N-phenylnaphthalen-1-amine
CID 167227674
N-dibenzothiophen-3-yl-N-(4-naphthalen-1-ylphenyl)-2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-5-amine
CID 167124695
N-[3-(4a,9a-dihydrocarbazol-9-yl)phenyl]-N-(3-dibenzofuran-3-ylphenyl)-5-naphthalen-2-yl-2-phenylaniline
CID 167234495
N-(4-naphthalen-1-ylphenyl)-N-[4-(2-phenyl-1,3-benzoxazol-4-yl)phenyl]dibenzofuran-1-amine
CID 176785892
2-phenyl-N-(9-phenylcarbazol-2-yl)-N-(2-phenylphenyl)benzo[e][1,3]benzoxazol-8-amine
CID 170025266
N-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)-2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-9-amine
CID 167123941

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-1-ylphenyl)-2-phenyl-N-(9-phenyl-4b,8a-dihydrocarbazol-2-yl)benzo[e][1,3]benzoxazol-5-amine?
The IUPAC name of N-(4-naphthalen-1-ylphenyl)-2-phenyl-N-(9-phenyl-4b,8a-dihydrocarbazol-2-yl)benzo[e][1,3]benzoxazol-5-amine (CID 170026171) is N-(4-naphthalen-1-ylphenyl)-2-phenyl-N-(9-phenyl-4b,8a-dihydrocarbazol-2-yl)benzo[e][1,3]benzoxazol-5-amine.
What is the SMILES notation for N-(4-naphthalen-1-ylphenyl)-2-phenyl-N-(9-phenyl-4b,8a-dihydrocarbazol-2-yl)benzo[e][1,3]benzoxazol-5-amine?
The canonical SMILES for N-(4-naphthalen-1-ylphenyl)-2-phenyl-N-(9-phenyl-4b,8a-dihydrocarbazol-2-yl)benzo[e][1,3]benzoxazol-5-amine is C1=CC2c3ccc(N(c4ccc(-c5cccc6ccccc56)cc4)c4cc5oc(-c6ccccc6)nc5c5ccccc45)cc3N(c3ccccc3)C2C=C1.
What is the InChIKey of N-(4-naphthalen-1-ylphenyl)-2-phenyl-N-(9-phenyl-4b,8a-dihydrocarbazol-2-yl)benzo[e][1,3]benzoxazol-5-amine?
The InChIKey is HTGYXIZIOMWHRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H35N3O/c1-3-15-36(16-4-1)51-52-50-45-23-10-9-22-43(45)48(33-49(50)55-51)53(38-28-26-35(27-29-38)41-24-13-17-34-14-7-8-20-40(34)41)39-30-31-44-42-21-11-12-25-46(42)54(47(44)32-39)37-18-5-2-6-19-37/h1-33,42,46H.
What are the key properties of N-(4-naphthalen-1-ylphenyl)-2-phenyl-N-(9-phenyl-4b,8a-dihydrocarbazol-2-yl)benzo[e][1,3]benzoxazol-5-amine?
N-(4-naphthalen-1-ylphenyl)-2-phenyl-N-(9-phenyl-4b,8a-dihydrocarbazol-2-yl)benzo[e][1,3]benzoxazol-5-amine has a molecular weight of 705.86 g/mol, XLogP of 13.67, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-naphthalen-1-ylphenyl)-2-phenyl-N-(9-phenyl-4b,8a-dihydrocarbazol-2-yl)benzo[e][1,3]benzoxazol-5-amine is sourced from PubChem (CID 170026171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).