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

C52H34N2O — CID 176795749

IUPACN-phenyl-11-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3cc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)c4c(c3)oc3ccc5ccccc5c34)cc2)cc1
InChIInChI=1S/C52H34N2O/c1-4-14-35(15-5-1)36-24-28-41(29-25-36)53(39-17-6-2-7-18-39)42-33-46(52-50(34-42)55-49-31-27-37-16-10-11-21-43(37)51(49)52)38-26-30-45-44-22-12-13-23-47(44)54(48(45)32-38)40-19-8-3-9-20-40/h1-34H
InChIKeyDEZPCOISIBLKOE-UHFFFAOYSA-N
MW702.86 g/mol
LogP14.64
Rot. Bonds6

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

N-phenyl-11-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine (PubChem CID 176795749) has the molecular formula C52H34N2O and a molecular weight of 702.86 g/mol. Its IUPAC name is N-phenyl-11-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine.

Molecular Properties

Compound NameN-phenyl-11-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
PubChem CID176795749
Molecular FormulaC52H34N2O
Molecular Weight702.86 g/mol
Exact Mass702.27
IUPAC NameN-phenyl-11-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3cc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)c4c(c3)oc3ccc5ccccc5c34)cc2)cc1
InChIInChI=1S/C52H34N2O/c1-4-14-35(15-5-1)36-24-28-41(29-25-36)53(39-17-6-2-7-18-39)42-33-46(52-50(34-42)55-49-31-27-37-16-10-11-21-43(37)51(49)52)38-26-30-45-44-22-12-13-23-47(44)54(48(45)32-38)40-19-8-3-9-20-40/h1-34H
InChIKeyDEZPCOISIBLKOE-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

N-phenyl-11-(9-phenylcarbazol-3-yl)-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-9-amine
CID 176795809
N-phenyl-11-(9-phenylcarbazol-1-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
CID 176795927
N-naphthalen-2-yl-11-(9-phenylcarbazol-4-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
CID 176796141
8-(9-phenylcarbazol-2-yl)-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-11-amine
CID 176795939
N-phenyl-8-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine
CID 176795688
3-(9-phenylcarbazol-2-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
CID 176795911
11-(9-phenylcarbazol-2-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 176795822
N-naphtho[2,1-b][1]benzofuran-10-yl-9-phenyl-N-[4-(4-phenylphenyl)phenyl]carbazol-3-amine
CID 163745971
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-phenyl-5-(9-phenylcarbazol-2-yl)-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-11-amine
CID 176795871
N-naphthalen-2-yl-11-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 176796125
N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 170033598

Frequently Asked Questions

What is the IUPAC name of N-phenyl-11-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine?
The IUPAC name of N-phenyl-11-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine (CID 176795749) is N-phenyl-11-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine.
What is the SMILES notation for N-phenyl-11-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine?
The canonical SMILES for N-phenyl-11-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine is c1ccc(-c2ccc(N(c3ccccc3)c3cc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)c4c(c3)oc3ccc5ccccc5c34)cc2)cc1.
What is the InChIKey of N-phenyl-11-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine?
The InChIKey is DEZPCOISIBLKOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N2O/c1-4-14-35(15-5-1)36-24-28-41(29-25-36)53(39-17-6-2-7-18-39)42-33-46(52-50(34-42)55-49-31-27-37-16-10-11-21-43(37)51(49)52)38-26-30-45-44-22-12-13-23-47(44)54(48(45)32-38)40-19-8-3-9-20-40/h1-34H.
What are the key properties of N-phenyl-11-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine?
N-phenyl-11-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-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-11-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine is sourced from PubChem (CID 176795749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).