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

C52H34N2O — CID 176795927

IUPACN-phenyl-11-(9-phenylcarbazol-1-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3cc(-c4cccc5c6ccccc6n(-c6ccccc6)c45)c4c(c3)oc3ccc5ccccc5c34)cc2)cc1
InChIInChI=1S/C52H34N2O/c1-4-15-35(16-5-1)36-27-30-40(31-28-36)53(38-18-6-2-7-19-38)41-33-46(51-49(34-41)55-48-32-29-37-17-10-11-22-42(37)50(48)51)45-25-14-24-44-43-23-12-13-26-47(43)54(52(44)45)39-20-8-3-9-21-39/h1-34H
InChIKeyURLKOAATBCKYDE-UHFFFAOYSA-N
MW702.86 g/mol
LogP14.64
Rot. Bonds6

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

N-phenyl-11-(9-phenylcarbazol-1-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine (PubChem CID 176795927) has the molecular formula C52H34N2O and a molecular weight of 702.86 g/mol. Its IUPAC name is N-phenyl-11-(9-phenylcarbazol-1-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine.

Molecular Properties

Compound NameN-phenyl-11-(9-phenylcarbazol-1-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
PubChem CID176795927
Molecular FormulaC52H34N2O
Molecular Weight702.86 g/mol
Exact Mass702.27
IUPAC NameN-phenyl-11-(9-phenylcarbazol-1-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3cc(-c4cccc5c6ccccc6n(-c6ccccc6)c45)c4c(c3)oc3ccc5ccccc5c34)cc2)cc1
InChIInChI=1S/C52H34N2O/c1-4-15-35(16-5-1)36-27-30-40(31-28-36)53(38-18-6-2-7-19-38)41-33-46(51-49(34-41)55-48-32-29-37-17-10-11-22-42(37)50(48)51)45-25-14-24-44-43-23-12-13-26-47(43)54(52(44)45)39-20-8-3-9-21-39/h1-34H
InChIKeyURLKOAATBCKYDE-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

8-(9-phenylcarbazol-1-yl)-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine
CID 176796055
N-phenyl-11-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
CID 176795749
N-phenyl-11-(9-phenylcarbazol-3-yl)-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-9-amine
CID 176795809
1-(9-phenylcarbazol-1-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
CID 176795791
N-naphthalen-2-yl-11-(9-phenylcarbazol-4-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
CID 176796141
N-phenanthren-3-yl-N-phenyl-11-(9-phenylcarbazol-1-yl)naphtho[2,1-b][1]benzofuran-3-amine
CID 176795994
8-(9-phenylcarbazol-1-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-11-amine
CID 176795645
N-phenanthren-3-yl-N-phenyl-3-(9-phenylcarbazol-1-yl)naphtho[2,1-b][1]benzofuran-9-amine
CID 176795860
N-phenyl-9-(9-phenylcarbazol-1-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-1-amine
CID 176795959
5-(9-phenylcarbazol-1-yl)-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-11-amine
CID 176795873
23-(4-phenylphenyl)-12-oxa-23-azahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaene
CID 122465779
10-(9-phenylcarbazol-1-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 176796105

Frequently Asked Questions

What is the IUPAC name of N-phenyl-11-(9-phenylcarbazol-1-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine?
The IUPAC name of N-phenyl-11-(9-phenylcarbazol-1-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine (CID 176795927) is N-phenyl-11-(9-phenylcarbazol-1-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine.
What is the SMILES notation for N-phenyl-11-(9-phenylcarbazol-1-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine?
The canonical SMILES for N-phenyl-11-(9-phenylcarbazol-1-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine is c1ccc(-c2ccc(N(c3ccccc3)c3cc(-c4cccc5c6ccccc6n(-c6ccccc6)c45)c4c(c3)oc3ccc5ccccc5c34)cc2)cc1.
What is the InChIKey of N-phenyl-11-(9-phenylcarbazol-1-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine?
The InChIKey is URLKOAATBCKYDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N2O/c1-4-15-35(16-5-1)36-27-30-40(31-28-36)53(38-18-6-2-7-19-38)41-33-46(51-49(34-41)55-48-32-29-37-17-10-11-22-42(37)50(48)51)45-25-14-24-44-43-23-12-13-26-47(43)54(52(44)45)39-20-8-3-9-21-39/h1-34H.
What are the key properties of N-phenyl-11-(9-phenylcarbazol-1-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine?
N-phenyl-11-(9-phenylcarbazol-1-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-1-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine is sourced from PubChem (CID 176795927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).