N-naphthalen-2-yl-5-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine

C56H36N2O — CID 176795770

IUPACN-naphthalen-2-yl-5-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
SMILESc1ccc(-c2ccc(N(c3ccc4ccccc4c3)c3ccc4c(c3)oc3cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c5ccccc5c34)cc2)cc1
InChIInChI=1S/C56H36N2O/c1-3-13-37(14-4-1)39-23-27-43(28-24-39)57(44-29-25-38-15-7-8-16-40(38)33-44)45-30-31-49-54(35-45)59-55-36-50(46-19-9-10-21-48(46)56(49)55)41-26-32-53-51(34-41)47-20-11-12-22-52(47)58(53)42-17-5-2-6-18-42/h1-36H
InChIKeyLEVSJGBGIZIVLD-UHFFFAOYSA-N
MW752.92 g/mol
LogP15.79
Rot. Bonds6

About N-naphthalen-2-yl-5-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine

N-naphthalen-2-yl-5-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine (PubChem CID 176795770) has the molecular formula C56H36N2O and a molecular weight of 752.92 g/mol. Its IUPAC name is N-naphthalen-2-yl-5-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine.

Molecular Properties

Compound NameN-naphthalen-2-yl-5-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
PubChem CID176795770
Molecular FormulaC56H36N2O
Molecular Weight752.92 g/mol
Exact Mass752.28
IUPAC NameN-naphthalen-2-yl-5-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
SMILESc1ccc(-c2ccc(N(c3ccc4ccccc4c3)c3ccc4c(c3)oc3cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c5ccccc5c34)cc2)cc1
InChIInChI=1S/C56H36N2O/c1-3-13-37(14-4-1)39-23-27-43(28-24-39)57(44-29-25-38-15-7-8-16-40(38)33-44)45-30-31-49-54(35-45)59-55-36-50(46-19-9-10-21-48(46)56(49)55)41-26-32-53-51(34-41)47-20-11-12-22-52(47)58(53)42-17-5-2-6-18-42/h1-36H
InChIKeyLEVSJGBGIZIVLD-UHFFFAOYSA-N
XLogP15.79
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500752.92
LogP ≤ 515.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(9-phenylcarbazol-3-yl)-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
CID 176795870
N-naphthalen-2-yl-5-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 176796157
N-[4-[2-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 118103057
N-(4-naphthalen-2-ylphenyl)-6-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)naphthalen-2-amine
CID 166956432
1-N,3-N-di(dibenzofuran-3-yl)-1-N,3-N-dinaphthalen-2-yl-5-[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3-diamine
CID 129175587
3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-9-yl]-9-phenylcarbazole;N-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-9-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 165054175
3-[2-dibenzofuran-3-yl-4-(9-phenylcarbazol-3-yl)phenyl]-N,N-diphenylaniline;bis(N-[3-[2-dibenzofuran-3-yl-4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine)
CID 162157282
N,N-bis(4-phenylphenyl)dibenzofuran-3-amine;4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 161469744
N-phenyl-11-(9-phenylcarbazol-3-yl)-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-9-amine
CID 176795809
N-(4-naphthalen-2-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 166956515
N-naphtho[2,1-b][1]benzofuran-10-yl-9-phenyl-N-[4-(4-phenylphenyl)phenyl]carbazol-3-amine
CID 163745971
N-[4-[2-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 130452731

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-2-yl-5-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine?
The IUPAC name of N-naphthalen-2-yl-5-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine (CID 176795770) is N-naphthalen-2-yl-5-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine.
What is the SMILES notation for N-naphthalen-2-yl-5-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine?
The canonical SMILES for N-naphthalen-2-yl-5-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine is c1ccc(-c2ccc(N(c3ccc4ccccc4c3)c3ccc4c(c3)oc3cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c5ccccc5c34)cc2)cc1.
What is the InChIKey of N-naphthalen-2-yl-5-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine?
The InChIKey is LEVSJGBGIZIVLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36N2O/c1-3-13-37(14-4-1)39-23-27-43(28-24-39)57(44-29-25-38-15-7-8-16-40(38)33-44)45-30-31-49-54(35-45)59-55-36-50(46-19-9-10-21-48(46)56(49)55)41-26-32-53-51(34-41)47-20-11-12-22-52(47)58(53)42-17-5-2-6-18-42/h1-36H.
What are the key properties of N-naphthalen-2-yl-5-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine?
N-naphthalen-2-yl-5-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine has a molecular weight of 752.92 g/mol, XLogP of 15.79, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-2-yl-5-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine is sourced from PubChem (CID 176795770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).