N-naphthalen-2-yl-5-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine

C56H36N2O — CID 176796157

IUPACN-naphthalen-2-yl-5-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
SMILESc1ccc(-c2ccc(N(c3ccc4ccccc4c3)c3cccc4c3oc3cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c5ccccc5c34)cc2)cc1
InChIInChI=1S/C56H36N2O/c1-3-14-37(15-4-1)39-26-30-43(31-27-39)57(44-32-28-38-16-7-8-17-40(38)34-44)53-25-13-23-48-55-47-22-10-9-20-45(47)49(36-54(55)59-56(48)53)41-29-33-52-50(35-41)46-21-11-12-24-51(46)58(52)42-18-5-2-6-19-42/h1-36H
InChIKeyQUKZOEQERYUGGD-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-8-amine

N-naphthalen-2-yl-5-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine (PubChem CID 176796157) 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-8-amine.

Molecular Properties

Compound NameN-naphthalen-2-yl-5-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
PubChem CID176796157
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-8-amine
SMILESc1ccc(-c2ccc(N(c3ccc4ccccc4c3)c3cccc4c3oc3cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c5ccccc5c34)cc2)cc1
InChIInChI=1S/C56H36N2O/c1-3-14-37(15-4-1)39-26-30-43(31-27-39)57(44-32-28-38-16-7-8-17-40(38)34-44)53-25-13-23-48-55-47-22-10-9-20-45(47)49(36-54(55)59-56(48)53)41-29-33-52-50(35-41)46-21-11-12-24-51(46)58(52)42-18-5-2-6-19-42/h1-36H
InChIKeyQUKZOEQERYUGGD-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-3-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 176796020
N-naphthalen-2-yl-5-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
CID 176795770
N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 170272106
N-(16-carbazol-9-yl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 166031741
N-phenanthren-2-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine
CID 167278254
N-naphthalen-2-yl-7-phenyl-N-(4-phenylphenyl)benzo[c]carbazol-4-amine
CID 165006232
N-[4-[2-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 118103057
2-(9-phenylcarbazol-3-yl)-N,N-bis(4-phenylphenyl)aniline;5-(9-phenylcarbazol-3-yl)-N,N-bis(4-phenylphenyl)naphthalen-1-amine;6-(9-phenylcarbazol-3-yl)-N,N-bis(4-phenylphenyl)naphthalen-2-amine;4-phenyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 157115860
N-naphthalen-2-yl-N-[4-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]naphthalen-1-yl]-9-phenylcarbazol-3-amine
CID 59181361
5-(9-phenylcarbazol-3-yl)-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
CID 176795870
N-naphthalen-2-yl-11-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 176796125
N-phenyl-9-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 129178935

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-8-amine?
The IUPAC name of N-naphthalen-2-yl-5-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine (CID 176796157) is N-naphthalen-2-yl-5-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-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-8-amine?
The canonical SMILES for N-naphthalen-2-yl-5-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine is c1ccc(-c2ccc(N(c3ccc4ccccc4c3)c3cccc4c3oc3cc(-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-8-amine?
The InChIKey is QUKZOEQERYUGGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36N2O/c1-3-14-37(15-4-1)39-26-30-43(31-27-39)57(44-32-28-38-16-7-8-17-40(38)34-44)53-25-13-23-48-55-47-22-10-9-20-45(47)49(36-54(55)59-56(48)53)41-29-33-52-50(35-41)46-21-11-12-24-51(46)58(52)42-18-5-2-6-19-42/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-8-amine?
N-naphthalen-2-yl-5-(9-phenylcarbazol-3-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-5-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine is sourced from PubChem (CID 176796157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).