N-benzo[c]phenanthren-2-yl-N-(2-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-amine

C46H29NO — CID 167182049

IUPACN-benzo[c]phenanthren-2-yl-N-(2-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-amine
SMILESc1ccc(-c2ccccc2N(c2ccc3ccc4ccc5ccccc5c4c3c2)c2cccc3oc4cc5ccccc5cc4c23)cc1
InChIInChI=1S/C46H29NO/c1-2-11-30(12-3-1)37-16-8-9-18-41(37)47(42-19-10-20-43-46(42)40-27-34-14-4-5-15-35(34)28-44(40)48-43)36-26-25-32-22-24-33-23-21-31-13-6-7-17-38(31)45(33)39(32)29-36/h1-29H
InChIKeyKVKBFPMSSOGAFO-UHFFFAOYSA-N
MW611.74 g/mol
LogP13.34
Rot. Bonds4

About N-benzo[c]phenanthren-2-yl-N-(2-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-amine

N-benzo[c]phenanthren-2-yl-N-(2-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-amine (PubChem CID 167182049) has the molecular formula C46H29NO and a molecular weight of 611.74 g/mol. Its IUPAC name is N-benzo[c]phenanthren-2-yl-N-(2-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-amine.

Molecular Properties

Compound NameN-benzo[c]phenanthren-2-yl-N-(2-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-amine
PubChem CID167182049
Molecular FormulaC46H29NO
Molecular Weight611.74 g/mol
Exact Mass611.22
IUPAC NameN-benzo[c]phenanthren-2-yl-N-(2-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-amine
SMILESc1ccc(-c2ccccc2N(c2ccc3ccc4ccc5ccccc5c4c3c2)c2cccc3oc4cc5ccccc5cc4c23)cc1
InChIInChI=1S/C46H29NO/c1-2-11-30(12-3-1)37-16-8-9-18-41(37)47(42-19-10-20-43-46(42)40-27-34-14-4-5-15-35(34)28-44(40)48-43)36-26-25-32-22-24-33-23-21-31-13-6-7-17-38(31)45(33)39(32)29-36/h1-29H
InChIKeyKVKBFPMSSOGAFO-UHFFFAOYSA-N
XLogP13.34
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500611.74
LogP ≤ 513.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-benzo[g]phenanthren-4-yl-N-(2-phenylphenyl)naphtho[2,3-b][1]benzofuran-9-amine
CID 167183875
N-naphthalen-2-yl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-1-amine
CID 172501948
N-dibenzofuran-1-yl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaen-19-amine
CID 170779228
N-benzo[c]phenanthren-2-yl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine
CID 167184393
N-(4-benzo[g]phenanthren-4-ylphenyl)-N-(2-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
CID 167183177
N-(4-benzo[c]phenanthren-2-ylphenyl)-N-(2-phenylphenyl)dibenzofuran-2-amine
CID 167182926
N-(4-benzo[c]phenanthren-2-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)-2-phenylaniline
CID 167183418
N-naphthalen-2-yl-N-(2-phenanthren-9-ylphenyl)naphtho[2,3-b][1]benzofuran-1-amine
CID 167031792
N-[4-(3-phenylnaphthalen-2-yl)phenyl]-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 154605463
N-naphthalen-1-yl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-2-amine
CID 172503063
N-(2-naphthalen-1-ylphenyl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine
CID 170301571
N-[2-[2-(2,5-diphenylphenyl)phenyl]phenyl]-N-naphthalen-2-yldibenzofuran-1-amine
CID 172503017

Frequently Asked Questions

What is the IUPAC name of N-benzo[c]phenanthren-2-yl-N-(2-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-amine?
The IUPAC name of N-benzo[c]phenanthren-2-yl-N-(2-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-amine (CID 167182049) is N-benzo[c]phenanthren-2-yl-N-(2-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-amine.
What is the SMILES notation for N-benzo[c]phenanthren-2-yl-N-(2-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-amine?
The canonical SMILES for N-benzo[c]phenanthren-2-yl-N-(2-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-amine is c1ccc(-c2ccccc2N(c2ccc3ccc4ccc5ccccc5c4c3c2)c2cccc3oc4cc5ccccc5cc4c23)cc1.
What is the InChIKey of N-benzo[c]phenanthren-2-yl-N-(2-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-amine?
The InChIKey is KVKBFPMSSOGAFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29NO/c1-2-11-30(12-3-1)37-16-8-9-18-41(37)47(42-19-10-20-43-46(42)40-27-34-14-4-5-15-35(34)28-44(40)48-43)36-26-25-32-22-24-33-23-21-31-13-6-7-17-38(31)45(33)39(32)29-36/h1-29H.
What are the key properties of N-benzo[c]phenanthren-2-yl-N-(2-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-amine?
N-benzo[c]phenanthren-2-yl-N-(2-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-amine has a molecular weight of 611.74 g/mol, XLogP of 13.34, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzo[c]phenanthren-2-yl-N-(2-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-amine is sourced from PubChem (CID 167182049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).