N-naphthalen-2-yl-11-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine

C56H36N2O — CID 176796125

IUPACN-naphthalen-2-yl-11-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
SMILESc1ccc(-c2ccc(N(c3ccc4ccccc4c3)c3ccc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)c4c3oc3ccc5ccccc5c34)cc2)cc1
InChIInChI=1S/C56H36N2O/c1-3-13-37(14-4-1)39-23-28-44(29-24-39)57(45-30-25-38-15-7-8-17-41(38)35-45)51-33-32-47(55-54-46-20-10-9-16-40(46)27-34-53(54)59-56(51)55)42-26-31-49-48-21-11-12-22-50(48)58(52(49)36-42)43-18-5-2-6-19-43/h1-36H
InChIKeyOZBMLYXTLFXNFO-UHFFFAOYSA-N
MW752.92 g/mol
LogP15.79
Rot. Bonds6

About N-naphthalen-2-yl-11-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine

N-naphthalen-2-yl-11-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine (PubChem CID 176796125) 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-2-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine.

Molecular Properties

Compound NameN-naphthalen-2-yl-11-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
PubChem CID176796125
Molecular FormulaC56H36N2O
Molecular Weight752.92 g/mol
Exact Mass752.28
IUPAC NameN-naphthalen-2-yl-11-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
SMILESc1ccc(-c2ccc(N(c3ccc4ccccc4c3)c3ccc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)c4c3oc3ccc5ccccc5c34)cc2)cc1
InChIInChI=1S/C56H36N2O/c1-3-13-37(14-4-1)39-23-28-44(29-24-39)57(45-30-25-38-15-7-8-17-41(38)35-45)51-33-32-47(55-54-46-20-10-9-16-40(46)27-34-53(54)59-56(51)55)42-26-31-49-48-21-11-12-22-50(48)58(52(49)36-42)43-18-5-2-6-19-43/h1-36H
InChIKeyOZBMLYXTLFXNFO-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

11-(9-phenylcarbazol-2-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 176795822
8-(9-phenylcarbazol-2-yl)-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-11-amine
CID 176795939
N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-amine
CID 148903571
N-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 149125830
11-(9-phenylcarbazol-4-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 176795613
N-naphthalen-2-yl-3-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 176796020
4-(3-carbazol-9-ylphenyl)-N-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine
CID 176608070
N-[4-[2-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 130452731
N-naphthalen-2-yl-5-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 176796157
N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-2-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)aniline
CID 167330428
4-[3,5-bis(9-phenylcarbazol-2-yl)phenyl]-N,N-bis(4-phenylphenyl)naphthalen-1-amine;4-[3,5-bis(9-phenylcarbazol-2-yl)phenyl]-N,N-diphenylnaphthalen-1-amine;N-[4-[4-[3,5-bis(9-phenylcarbazol-2-yl)phenyl]phenyl]phenyl]-N,4-diphenylaniline;N-[4-[4-[3,5-bis(9-phenylcarbazol-2-yl)phenyl]phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[4-[3,5-bis(9-phenylcarbazol-2-yl)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 159471682
N-phenyl-11-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
CID 176795749

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-2-yl-11-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine?
The IUPAC name of N-naphthalen-2-yl-11-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine (CID 176796125) is N-naphthalen-2-yl-11-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine.
What is the SMILES notation for N-naphthalen-2-yl-11-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine?
The canonical SMILES for N-naphthalen-2-yl-11-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine is c1ccc(-c2ccc(N(c3ccc4ccccc4c3)c3ccc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)c4c3oc3ccc5ccccc5c34)cc2)cc1.
What is the InChIKey of N-naphthalen-2-yl-11-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine?
The InChIKey is OZBMLYXTLFXNFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36N2O/c1-3-13-37(14-4-1)39-23-28-44(29-24-39)57(45-30-25-38-15-7-8-17-41(38)35-45)51-33-32-47(55-54-46-20-10-9-16-40(46)27-34-53(54)59-56(51)55)42-26-31-49-48-21-11-12-22-50(48)58(52(49)36-42)43-18-5-2-6-19-43/h1-36H.
What are the key properties of N-naphthalen-2-yl-11-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine?
N-naphthalen-2-yl-11-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-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-2-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine is sourced from PubChem (CID 176796125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).