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

C52H34N2O — CID 176795959

IUPACN-phenyl-9-(9-phenylcarbazol-1-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-1-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3cccc4ccc5oc6cc(-c7cccc8c9ccccc9n(-c9ccccc9)c78)ccc6c5c34)cc2)cc1
InChIInChI=1S/C52H34N2O/c1-4-14-35(15-5-1)36-26-30-41(31-27-36)53(39-17-6-2-7-18-39)47-25-12-16-37-29-33-48-51(50(37)47)45-32-28-38(34-49(45)55-48)42-22-13-23-44-43-21-10-11-24-46(43)54(52(42)44)40-19-8-3-9-20-40/h1-34H
InChIKeyVRJFYGQPYKGERA-UHFFFAOYSA-N
MW702.86 g/mol
LogP14.64
Rot. Bonds6

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

N-phenyl-9-(9-phenylcarbazol-1-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-1-amine (PubChem CID 176795959) has the molecular formula C52H34N2O and a molecular weight of 702.86 g/mol. Its IUPAC name is N-phenyl-9-(9-phenylcarbazol-1-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-1-amine.

Molecular Properties

Compound NameN-phenyl-9-(9-phenylcarbazol-1-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-1-amine
PubChem CID176795959
Molecular FormulaC52H34N2O
Molecular Weight702.86 g/mol
Exact Mass702.27
IUPAC NameN-phenyl-9-(9-phenylcarbazol-1-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-1-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3cccc4ccc5oc6cc(-c7cccc8c9ccccc9n(-c9ccccc9)c78)ccc6c5c34)cc2)cc1
InChIInChI=1S/C52H34N2O/c1-4-14-35(15-5-1)36-26-30-41(31-27-36)53(39-17-6-2-7-18-39)47-25-12-16-37-29-33-48-51(50(37)47)45-32-28-38(34-49(45)55-48)42-22-13-23-44-43-21-10-11-24-46(43)54(52(42)44)40-19-8-3-9-20-40/h1-34H
InChIKeyVRJFYGQPYKGERA-UHFFFAOYSA-N
XLogP14.64
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500702.86
LogP ≤ 514.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(9-phenylcarbazol-1-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
CID 176795791
N-(3-dibenzofuran-1-ylphenyl)-N-[4-(9-phenylcarbazol-1-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 170298481
N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine
CID 170298887
N-(4-dibenzofuran-3-ylphenyl)-N-[2-(9-phenylcarbazol-1-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 170298828
N-(3-naphtho[2,1-b][1]benzofuran-1-ylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-4-amine
CID 168807443
methane;N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-1-amine;N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-2-amine;N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-3-amine
CID 165018255
5-(9-phenylcarbazol-1-yl)-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-11-amine
CID 176795873
N-phenanthren-3-yl-N-phenyl-3-(9-phenylcarbazol-1-yl)naphtho[2,1-b][1]benzofuran-9-amine
CID 176795860
N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-3-amine;N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-4-amine;N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine;N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 165063563
8-(9-phenylcarbazol-1-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-11-amine
CID 176795645
N-phenyl-11-(9-phenylcarbazol-1-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
CID 176795927
N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-9-phenyl-N-(3-phenylphenyl)carbazol-1-amine
CID 170033639

Frequently Asked Questions

What is the IUPAC name of N-phenyl-9-(9-phenylcarbazol-1-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-1-amine?
The IUPAC name of N-phenyl-9-(9-phenylcarbazol-1-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-1-amine (CID 176795959) is N-phenyl-9-(9-phenylcarbazol-1-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-1-amine.
What is the SMILES notation for N-phenyl-9-(9-phenylcarbazol-1-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-1-amine?
The canonical SMILES for N-phenyl-9-(9-phenylcarbazol-1-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-1-amine is c1ccc(-c2ccc(N(c3ccccc3)c3cccc4ccc5oc6cc(-c7cccc8c9ccccc9n(-c9ccccc9)c78)ccc6c5c34)cc2)cc1.
What is the InChIKey of N-phenyl-9-(9-phenylcarbazol-1-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-1-amine?
The InChIKey is VRJFYGQPYKGERA-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N2O/c1-4-14-35(15-5-1)36-26-30-41(31-27-36)53(39-17-6-2-7-18-39)47-25-12-16-37-29-33-48-51(50(37)47)45-32-28-38(34-49(45)55-48)42-22-13-23-44-43-21-10-11-24-46(43)54(52(42)44)40-19-8-3-9-20-40/h1-34H.
What are the key properties of N-phenyl-9-(9-phenylcarbazol-1-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-1-amine?
N-phenyl-9-(9-phenylcarbazol-1-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-1-amine has a molecular weight of 702.86 g/mol, XLogP of 14.64, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-9-(9-phenylcarbazol-1-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-1-amine is sourced from PubChem (CID 176795959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).