N-naphthalen-2-yl-11-(9-phenylcarbazol-4-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine

C56H36N2O — CID 176796141

IUPACN-naphthalen-2-yl-11-(9-phenylcarbazol-4-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
SMILESc1ccc(-c2ccc(N(c3ccc4ccccc4c3)c3cc(-c4cccc5c4c4ccccc4n5-c4ccccc4)c4c(c3)oc3ccc5ccccc5c34)cc2)cc1
InChIInChI=1S/C56H36N2O/c1-3-14-37(15-4-1)39-26-30-43(31-27-39)57(44-32-28-38-16-7-8-18-41(38)34-44)45-35-49(56-53(36-45)59-52-33-29-40-17-9-10-21-46(40)55(52)56)47-23-13-25-51-54(47)48-22-11-12-24-50(48)58(51)42-19-5-2-6-20-42/h1-36H
InChIKeyWMPPXOLVLMENBL-UHFFFAOYSA-N
MW752.92 g/mol
LogP15.79
Rot. Bonds6

About N-naphthalen-2-yl-11-(9-phenylcarbazol-4-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine

N-naphthalen-2-yl-11-(9-phenylcarbazol-4-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine (PubChem CID 176796141) has the molecular formula C56H36N2O and a molecular weight of 752.92 g/mol. Its IUPAC name is N-naphthalen-2-yl-11-(9-phenylcarbazol-4-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine.

Molecular Properties

Compound NameN-naphthalen-2-yl-11-(9-phenylcarbazol-4-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
PubChem CID176796141
Molecular FormulaC56H36N2O
Molecular Weight752.92 g/mol
Exact Mass752.28
IUPAC NameN-naphthalen-2-yl-11-(9-phenylcarbazol-4-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
SMILESc1ccc(-c2ccc(N(c3ccc4ccccc4c3)c3cc(-c4cccc5c4c4ccccc4n5-c4ccccc4)c4c(c3)oc3ccc5ccccc5c34)cc2)cc1
InChIInChI=1S/C56H36N2O/c1-3-14-37(15-4-1)39-26-30-43(31-27-39)57(44-32-28-38-16-7-8-18-41(38)34-44)45-35-49(56-53(36-45)59-52-33-29-40-17-9-10-21-46(40)55(52)56)47-23-13-25-51-54(47)48-22-11-12-24-50(48)58(51)42-19-5-2-6-20-42/h1-36H
InChIKeyWMPPXOLVLMENBL-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

N-naphthalen-2-yl-8-(9-phenylcarbazol-4-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine
CID 176795921
N-phenyl-11-(9-phenylcarbazol-1-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
CID 176795927
N-phenyl-11-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
CID 176795749
N-phenyl-11-(9-phenylcarbazol-3-yl)-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-9-amine
CID 176795809
8-(9-phenylcarbazol-4-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine
CID 176795922
5-(9-phenylcarbazol-4-yl)-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine
CID 176795838
11-(3,5-diphenylphenyl)-N-naphthalen-2-yl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
CID 170675458
N-phenyl-N-[4-[8-(9-phenylcarbazol-4-yl)naphthalen-1-yl]phenyl]naphthalen-2-amine
CID 169016163
11-(9-phenylcarbazol-4-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 176795613
N-[4-[2-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 118034825
N-(4-naphthalen-2-ylphenyl)-3-(9-phenylcarbazol-4-yl)-N-(4-phenylphenyl)aniline
CID 167195790
N,N-diphenyl-9-(9-phenylcarbazol-4-yl)naphtho[2,1-b][1]benzofuran-11-amine
CID 176795638

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-2-yl-11-(9-phenylcarbazol-4-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine?
The IUPAC name of N-naphthalen-2-yl-11-(9-phenylcarbazol-4-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine (CID 176796141) is N-naphthalen-2-yl-11-(9-phenylcarbazol-4-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine.
What is the SMILES notation for N-naphthalen-2-yl-11-(9-phenylcarbazol-4-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine?
The canonical SMILES for N-naphthalen-2-yl-11-(9-phenylcarbazol-4-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine is c1ccc(-c2ccc(N(c3ccc4ccccc4c3)c3cc(-c4cccc5c4c4ccccc4n5-c4ccccc4)c4c(c3)oc3ccc5ccccc5c34)cc2)cc1.
What is the InChIKey of N-naphthalen-2-yl-11-(9-phenylcarbazol-4-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine?
The InChIKey is WMPPXOLVLMENBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36N2O/c1-3-14-37(15-4-1)39-26-30-43(31-27-39)57(44-32-28-38-16-7-8-18-41(38)34-44)45-35-49(56-53(36-45)59-52-33-29-40-17-9-10-21-46(40)55(52)56)47-23-13-25-51-54(47)48-22-11-12-24-50(48)58(51)42-19-5-2-6-20-42/h1-36H.
What are the key properties of N-naphthalen-2-yl-11-(9-phenylcarbazol-4-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine?
N-naphthalen-2-yl-11-(9-phenylcarbazol-4-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-11-(9-phenylcarbazol-4-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine is sourced from PubChem (CID 176796141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).