N-(3-naphthalen-1-ylphenyl)-N-naphtho[1,2-b][1]benzofuran-7-yl-9-phenylcarbazol-2-amine

C50H32N2O — CID 171737636

IUPACN-(3-naphthalen-1-ylphenyl)-N-naphtho[1,2-b][1]benzofuran-7-yl-9-phenylcarbazol-2-amine
SMILESc1ccc(-n2c3ccccc3c3ccc(N(c4cccc(-c5cccc6ccccc56)c4)c4cccc5oc6c7ccccc7ccc6c45)cc32)cc1
InChIInChI=1S/C50H32N2O/c1-2-17-36(18-3-1)52-45-24-9-8-22-42(45)43-30-28-38(32-47(43)52)51(37-19-10-16-35(31-37)40-23-11-15-33-13-4-6-20-39(33)40)46-25-12-26-48-49(46)44-29-27-34-14-5-7-21-41(34)50(44)53-48/h1-32H
InChIKeyUUHXHDZCYMLUQM-UHFFFAOYSA-N
MW676.82 g/mol
LogP14.13
Rot. Bonds5

About N-(3-naphthalen-1-ylphenyl)-N-naphtho[1,2-b][1]benzofuran-7-yl-9-phenylcarbazol-2-amine

N-(3-naphthalen-1-ylphenyl)-N-naphtho[1,2-b][1]benzofuran-7-yl-9-phenylcarbazol-2-amine (PubChem CID 171737636) has the molecular formula C50H32N2O and a molecular weight of 676.82 g/mol. Its IUPAC name is N-(3-naphthalen-1-ylphenyl)-N-naphtho[1,2-b][1]benzofuran-7-yl-9-phenylcarbazol-2-amine.

Molecular Properties

Compound NameN-(3-naphthalen-1-ylphenyl)-N-naphtho[1,2-b][1]benzofuran-7-yl-9-phenylcarbazol-2-amine
PubChem CID171737636
Molecular FormulaC50H32N2O
Molecular Weight676.82 g/mol
Exact Mass676.25
IUPAC NameN-(3-naphthalen-1-ylphenyl)-N-naphtho[1,2-b][1]benzofuran-7-yl-9-phenylcarbazol-2-amine
SMILESc1ccc(-n2c3ccccc3c3ccc(N(c4cccc(-c5cccc6ccccc56)c4)c4cccc5oc6c7ccccc7ccc6c45)cc32)cc1
InChIInChI=1S/C50H32N2O/c1-2-17-36(18-3-1)52-45-24-9-8-22-42(45)43-30-28-38(32-47(43)52)51(37-19-10-16-35(31-37)40-23-11-15-33-13-4-6-20-39(33)40)46-25-12-26-48-49(46)44-29-27-34-14-5-7-21-41(34)50(44)53-48/h1-32H
InChIKeyUUHXHDZCYMLUQM-UHFFFAOYSA-N
XLogP14.13
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500676.82
LogP ≤ 514.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-naphtho[1,2-b][1]benzofuran-7-yl-N,9-diphenylcarbazol-2-amine
CID 171738403
N-naphthalen-2-yl-N-naphtho[1,2-b][1]benzofuran-7-yl-9-phenylcarbazol-2-amine
CID 163518594
N-(3-carbazol-9-ylphenyl)-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzofuran-1-amine
CID 169283939
N-(4-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171737618
N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 170272106
N-(4-carbazol-9-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-3-naphtho[1,2-b][1]benzofuran-7-ylaniline
CID 167331207
N-naphtho[1,2-b][1]benzofuran-7-yl-9-phenyl-N-(4-phenylnaphthalen-1-yl)carbazol-3-amine
CID 163555827
N-[3-(9-phenylcarbazol-4-yl)phenyl]-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171737415
N-(3-dibenzofuran-2-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171738743
N-(4-dibenzofuran-4-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171737568
N-(3-naphthalen-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 167277971
N-(3-dibenzothiophen-1-ylphenyl)-N-[3-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171737389

Frequently Asked Questions

What is the IUPAC name of N-(3-naphthalen-1-ylphenyl)-N-naphtho[1,2-b][1]benzofuran-7-yl-9-phenylcarbazol-2-amine?
The IUPAC name of N-(3-naphthalen-1-ylphenyl)-N-naphtho[1,2-b][1]benzofuran-7-yl-9-phenylcarbazol-2-amine (CID 171737636) is N-(3-naphthalen-1-ylphenyl)-N-naphtho[1,2-b][1]benzofuran-7-yl-9-phenylcarbazol-2-amine.
What is the SMILES notation for N-(3-naphthalen-1-ylphenyl)-N-naphtho[1,2-b][1]benzofuran-7-yl-9-phenylcarbazol-2-amine?
The canonical SMILES for N-(3-naphthalen-1-ylphenyl)-N-naphtho[1,2-b][1]benzofuran-7-yl-9-phenylcarbazol-2-amine is c1ccc(-n2c3ccccc3c3ccc(N(c4cccc(-c5cccc6ccccc56)c4)c4cccc5oc6c7ccccc7ccc6c45)cc32)cc1.
What is the InChIKey of N-(3-naphthalen-1-ylphenyl)-N-naphtho[1,2-b][1]benzofuran-7-yl-9-phenylcarbazol-2-amine?
The InChIKey is UUHXHDZCYMLUQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N2O/c1-2-17-36(18-3-1)52-45-24-9-8-22-42(45)43-30-28-38(32-47(43)52)51(37-19-10-16-35(31-37)40-23-11-15-33-13-4-6-20-39(33)40)46-25-12-26-48-49(46)44-29-27-34-14-5-7-21-41(34)50(44)53-48/h1-32H.
What are the key properties of N-(3-naphthalen-1-ylphenyl)-N-naphtho[1,2-b][1]benzofuran-7-yl-9-phenylcarbazol-2-amine?
N-(3-naphthalen-1-ylphenyl)-N-naphtho[1,2-b][1]benzofuran-7-yl-9-phenylcarbazol-2-amine has a molecular weight of 676.82 g/mol, XLogP of 14.13, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-naphthalen-1-ylphenyl)-N-naphtho[1,2-b][1]benzofuran-7-yl-9-phenylcarbazol-2-amine is sourced from PubChem (CID 171737636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).