N-benzo[c]phenanthren-5-yl-1-methyl-N-(4-phenylphenyl)-2H-[1]benzofuro[2,3-b]pyridin-6-amine

C42H30N2O — CID 166860603

IUPACN-benzo[c]phenanthren-5-yl-1-methyl-N-(4-phenylphenyl)-2H-[1]benzofuro[2,3-b]pyridin-6-amine
SMILESCN1CC=Cc2c1oc1ccc(N(c3ccc(-c4ccccc4)cc3)c3cc4ccc5ccccc5c4c4ccccc34)cc21
InChIInChI=1S/C42H30N2O/c1-43-25-9-16-37-38-27-33(23-24-40(38)45-42(37)43)44(32-21-19-29(20-22-32)28-10-3-2-4-11-28)39-26-31-18-17-30-12-5-6-13-34(30)41(31)36-15-8-7-14-35(36)39/h2-24,26-27H,25H2,1H3
InChIKeyULVAAEQHEWGFNR-UHFFFAOYSA-N
MW578.72 g/mol
LogP11.49
Rot. Bonds4

About N-benzo[c]phenanthren-5-yl-1-methyl-N-(4-phenylphenyl)-2H-[1]benzofuro[2,3-b]pyridin-6-amine

N-benzo[c]phenanthren-5-yl-1-methyl-N-(4-phenylphenyl)-2H-[1]benzofuro[2,3-b]pyridin-6-amine (PubChem CID 166860603) has the molecular formula C42H30N2O and a molecular weight of 578.72 g/mol. Its IUPAC name is N-benzo[c]phenanthren-5-yl-1-methyl-N-(4-phenylphenyl)-2H-[1]benzofuro[2,3-b]pyridin-6-amine.

Molecular Properties

Compound NameN-benzo[c]phenanthren-5-yl-1-methyl-N-(4-phenylphenyl)-2H-[1]benzofuro[2,3-b]pyridin-6-amine
PubChem CID166860603
Molecular FormulaC42H30N2O
Molecular Weight578.72 g/mol
Exact Mass578.24
IUPAC NameN-benzo[c]phenanthren-5-yl-1-methyl-N-(4-phenylphenyl)-2H-[1]benzofuro[2,3-b]pyridin-6-amine
SMILESCN1CC=Cc2c1oc1ccc(N(c3ccc(-c4ccccc4)cc3)c3cc4ccc5ccccc5c4c4ccccc34)cc21
InChIInChI=1S/C42H30N2O/c1-43-25-9-16-37-38-27-33(23-24-40(38)45-42(37)43)44(32-21-19-29(20-22-32)28-10-3-2-4-11-28)39-26-31-18-17-30-12-5-6-13-34(30)41(31)36-15-8-7-14-35(36)39/h2-24,26-27H,25H2,1H3
InChIKeyULVAAEQHEWGFNR-UHFFFAOYSA-N
XLogP11.49
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.72
LogP ≤ 511.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-benzo[c]phenanthren-5-yl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-2-amine
CID 167183841
N-benzo[c]phenanthren-5-yl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-2-amine
CID 167183035
N-phenanthren-9-yl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-2-amine
CID 89295821
N-(7-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 177100194
N-phenyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]-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-9-amine
CID 153468594
N-benzo[c]phenanthren-5-yl-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-3-amine
CID 167182090
N-[4-[3-[4-[3-(N-benzo[c]phenanthren-5-yl-4-phenylanilino)phenyl]phenyl]phenyl]phenyl]-N-(4-phenylphenyl)benzo[c]phenanthren-5-amine
CID 170226506
1-N-(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-yl)-3-N-phenanthren-9-yl-3-N-phenyl-1-N-(4-phenylphenyl)benzene-1,3-diamine
CID 170779449
N-naphthalen-2-yl-N-(4-phenylphenyl)-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-15-amine
CID 170779635
N-benzo[c]phenanthren-5-yl-N-phenylnaphtho[2,1-b][1]benzofuran-11-amine
CID 167184163
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]phenanthren-9-amine
CID 88567900
N-(4-benzo[c]phenanthren-2-ylphenyl)-N-(2-phenylphenyl)dibenzofuran-2-amine
CID 167182926

Frequently Asked Questions

What is the IUPAC name of N-benzo[c]phenanthren-5-yl-1-methyl-N-(4-phenylphenyl)-2H-[1]benzofuro[2,3-b]pyridin-6-amine?
The IUPAC name of N-benzo[c]phenanthren-5-yl-1-methyl-N-(4-phenylphenyl)-2H-[1]benzofuro[2,3-b]pyridin-6-amine (CID 166860603) is N-benzo[c]phenanthren-5-yl-1-methyl-N-(4-phenylphenyl)-2H-[1]benzofuro[2,3-b]pyridin-6-amine.
What is the SMILES notation for N-benzo[c]phenanthren-5-yl-1-methyl-N-(4-phenylphenyl)-2H-[1]benzofuro[2,3-b]pyridin-6-amine?
The canonical SMILES for N-benzo[c]phenanthren-5-yl-1-methyl-N-(4-phenylphenyl)-2H-[1]benzofuro[2,3-b]pyridin-6-amine is CN1CC=Cc2c1oc1ccc(N(c3ccc(-c4ccccc4)cc3)c3cc4ccc5ccccc5c4c4ccccc34)cc21.
What is the InChIKey of N-benzo[c]phenanthren-5-yl-1-methyl-N-(4-phenylphenyl)-2H-[1]benzofuro[2,3-b]pyridin-6-amine?
The InChIKey is ULVAAEQHEWGFNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H30N2O/c1-43-25-9-16-37-38-27-33(23-24-40(38)45-42(37)43)44(32-21-19-29(20-22-32)28-10-3-2-4-11-28)39-26-31-18-17-30-12-5-6-13-34(30)41(31)36-15-8-7-14-35(36)39/h2-24,26-27H,25H2,1H3.
What are the key properties of N-benzo[c]phenanthren-5-yl-1-methyl-N-(4-phenylphenyl)-2H-[1]benzofuro[2,3-b]pyridin-6-amine?
N-benzo[c]phenanthren-5-yl-1-methyl-N-(4-phenylphenyl)-2H-[1]benzofuro[2,3-b]pyridin-6-amine has a molecular weight of 578.72 g/mol, XLogP of 11.49, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzo[c]phenanthren-5-yl-1-methyl-N-(4-phenylphenyl)-2H-[1]benzofuro[2,3-b]pyridin-6-amine is sourced from PubChem (CID 166860603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).