N-phenyl-11-(9-phenylcarbazol-3-yl)-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-9-amine

C58H38N2O — CID 176795809

IUPACN-phenyl-11-(9-phenylcarbazol-3-yl)-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-9-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c5c(c4)oc4ccc6ccccc6c45)cc3)cc2)cc1
InChIInChI=1S/C58H38N2O/c1-4-14-39(15-5-1)40-24-26-41(27-25-40)42-28-32-47(33-29-42)59(45-17-6-2-7-18-45)48-37-51(58-56(38-48)61-55-35-31-43-16-10-11-21-49(43)57(55)58)44-30-34-54-52(36-44)50-22-12-13-23-53(50)60(54)46-19-8-3-9-20-46/h1-38H
InChIKeyNNYKHFZXHRXABH-UHFFFAOYSA-N
MW778.96 g/mol
LogP16.31
Rot. Bonds7

About N-phenyl-11-(9-phenylcarbazol-3-yl)-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-9-amine

N-phenyl-11-(9-phenylcarbazol-3-yl)-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-9-amine (PubChem CID 176795809) has the molecular formula C58H38N2O and a molecular weight of 778.96 g/mol. Its IUPAC name is N-phenyl-11-(9-phenylcarbazol-3-yl)-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-9-amine.

Molecular Properties

Compound NameN-phenyl-11-(9-phenylcarbazol-3-yl)-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-9-amine
PubChem CID176795809
Molecular FormulaC58H38N2O
Molecular Weight778.96 g/mol
Exact Mass778.30
IUPAC NameN-phenyl-11-(9-phenylcarbazol-3-yl)-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-9-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c5c(c4)oc4ccc6ccccc6c45)cc3)cc2)cc1
InChIInChI=1S/C58H38N2O/c1-4-14-39(15-5-1)40-24-26-41(27-25-40)42-28-32-47(33-29-42)59(45-17-6-2-7-18-45)48-37-51(58-56(38-48)61-55-35-31-43-16-10-11-21-49(43)57(55)58)44-30-34-54-52(36-44)50-22-12-13-23-53(50)60(54)46-19-8-3-9-20-46/h1-38H
InChIKeyNNYKHFZXHRXABH-UHFFFAOYSA-N
XLogP16.31
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500778.96
LogP ≤ 516.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-phenyl-11-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
CID 176795749
N-phenyl-8-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine
CID 176795688
N-phenyl-11-(9-phenylcarbazol-1-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
CID 176795927
N-naphtho[2,1-b][1]benzofuran-10-yl-9-phenyl-N-[4-(4-phenylphenyl)phenyl]carbazol-3-amine
CID 163745971
N-naphthalen-2-yl-11-(9-phenylcarbazol-4-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
CID 176796141
N-naphthalen-2-yl-5-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
CID 176795770
5-(9-phenylcarbazol-3-yl)-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
CID 176795870
N-[4-(9-naphtho[2,1-b][1]benzofuran-10-ylcarbazol-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 90321282
N-(4-dibenzofuran-2-ylphenyl)-N-phenanthren-3-yl-9-phenylcarbazol-3-amine
CID 168809759
4-(6-phenanthren-9-ylnaphthalen-2-yl)-N,N-diphenylaniline;4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
CID 158840520
N,4-diphenyl-N-[4-[8-(9-phenylcarbazol-3-yl)naphthalen-1-yl]phenyl]aniline
CID 169016056
N-(4-carbazol-9-ylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-1-amine;N-(4-carbazol-9-ylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-2-amine;N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-1-amine;N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-2-amine;N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine;N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
CID 157236630

Frequently Asked Questions

What is the IUPAC name of N-phenyl-11-(9-phenylcarbazol-3-yl)-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-9-amine?
The IUPAC name of N-phenyl-11-(9-phenylcarbazol-3-yl)-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-9-amine (CID 176795809) is N-phenyl-11-(9-phenylcarbazol-3-yl)-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-9-amine.
What is the SMILES notation for N-phenyl-11-(9-phenylcarbazol-3-yl)-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-9-amine?
The canonical SMILES for N-phenyl-11-(9-phenylcarbazol-3-yl)-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-9-amine is c1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c5c(c4)oc4ccc6ccccc6c45)cc3)cc2)cc1.
What is the InChIKey of N-phenyl-11-(9-phenylcarbazol-3-yl)-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-9-amine?
The InChIKey is NNYKHFZXHRXABH-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H38N2O/c1-4-14-39(15-5-1)40-24-26-41(27-25-40)42-28-32-47(33-29-42)59(45-17-6-2-7-18-45)48-37-51(58-56(38-48)61-55-35-31-43-16-10-11-21-49(43)57(55)58)44-30-34-54-52(36-44)50-22-12-13-23-53(50)60(54)46-19-8-3-9-20-46/h1-38H.
What are the key properties of N-phenyl-11-(9-phenylcarbazol-3-yl)-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-9-amine?
N-phenyl-11-(9-phenylcarbazol-3-yl)-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-9-amine has a molecular weight of 778.96 g/mol, XLogP of 16.31, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-11-(9-phenylcarbazol-3-yl)-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-9-amine is sourced from PubChem (CID 176795809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).