N-[4-([1]benzofuro[3,2-c]pyridin-7-yl)phenyl]-N-(4-phenylphenyl)benzo[c]phenanthren-5-amine

C47H30N2O — CID 166862062

IUPACN-[4-([1]benzofuro[3,2-c]pyridin-7-yl)phenyl]-N-(4-phenylphenyl)benzo[c]phenanthren-5-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)oc4ccncc45)cc3)c3cc4ccc5ccccc5c4c4ccccc34)cc2)cc1
InChIInChI=1S/C47H30N2O/c1-2-8-31(9-3-1)32-16-21-37(22-17-32)49(44-28-36-15-14-34-10-4-5-11-39(34)47(36)42-13-7-6-12-40(42)44)38-23-18-33(19-24-38)35-20-25-41-43-30-48-27-26-45(43)50-46(41)29-35/h1-30H
InChIKeyKCJVPVDCDHFACD-UHFFFAOYSA-N
MW638.77 g/mol
LogP13.24
Rot. Bonds5

About N-[4-([1]benzofuro[3,2-c]pyridin-7-yl)phenyl]-N-(4-phenylphenyl)benzo[c]phenanthren-5-amine

N-[4-([1]benzofuro[3,2-c]pyridin-7-yl)phenyl]-N-(4-phenylphenyl)benzo[c]phenanthren-5-amine (PubChem CID 166862062) has the molecular formula C47H30N2O and a molecular weight of 638.77 g/mol. Its IUPAC name is N-[4-([1]benzofuro[3,2-c]pyridin-7-yl)phenyl]-N-(4-phenylphenyl)benzo[c]phenanthren-5-amine.

Molecular Properties

Compound NameN-[4-([1]benzofuro[3,2-c]pyridin-7-yl)phenyl]-N-(4-phenylphenyl)benzo[c]phenanthren-5-amine
PubChem CID166862062
Molecular FormulaC47H30N2O
Molecular Weight638.77 g/mol
Exact Mass638.24
IUPAC NameN-[4-([1]benzofuro[3,2-c]pyridin-7-yl)phenyl]-N-(4-phenylphenyl)benzo[c]phenanthren-5-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)oc4ccncc45)cc3)c3cc4ccc5ccccc5c4c4ccccc34)cc2)cc1
InChIInChI=1S/C47H30N2O/c1-2-8-31(9-3-1)32-16-21-37(22-17-32)49(44-28-36-15-14-34-10-4-5-11-39(34)47(36)42-13-7-6-12-40(42)44)38-23-18-33(19-24-38)35-20-25-41-43-30-48-27-26-45(43)50-46(41)29-35/h1-30H
InChIKeyKCJVPVDCDHFACD-UHFFFAOYSA-N
XLogP13.24
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.77
LogP ≤ 513.24
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-6-yl-N-(4-phenylphenyl)-[1]benzofuro[3,2-c]pyridin-8-amine
CID 166860600
N-benzo[g]phenanthren-3-yl-N-(4-phenylphenyl)-[1]benzofuro[3,2-c]pyridin-8-amine
CID 168737780
N-benzo[c]phenanthren-5-yl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-2-amine
CID 167183841
N-(4-dibenzofuran-3-ylphenyl)-N-phenylheptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2,4,6,8,10,12,14(26),15,17,19,21(25),22,27-tetradecaen-19-amine
CID 167412569
N-(4-benzo[c]phenanthren-5-ylphenyl)-N-phenyl-[1]benzofuro[3,2-c]pyridin-6-amine
CID 166861288
N-(4-benzo[c]phenanthren-2-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)-2-phenylaniline
CID 167183418
N-benzo[c]phenanthren-5-yl-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-3-amine
CID 167182090
N-(4-dibenzofuran-3-ylphenyl)-N-[4-(1-phenylnaphthalen-2-yl)phenyl]phenanthren-9-amine
CID 170133778
N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-N-[4-[1-(4-phenylphenyl)naphthalen-2-yl]phenyl]phenanthren-9-amine
CID 170133817
2-N,4-N-diphenyl-2-N,4-N-bis(7-phenyldibenzofuran-3-yl)phenanthrene-2,4-diamine
CID 162490088
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
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

Frequently Asked Questions

What is the IUPAC name of N-[4-([1]benzofuro[3,2-c]pyridin-7-yl)phenyl]-N-(4-phenylphenyl)benzo[c]phenanthren-5-amine?
The IUPAC name of N-[4-([1]benzofuro[3,2-c]pyridin-7-yl)phenyl]-N-(4-phenylphenyl)benzo[c]phenanthren-5-amine (CID 166862062) is N-[4-([1]benzofuro[3,2-c]pyridin-7-yl)phenyl]-N-(4-phenylphenyl)benzo[c]phenanthren-5-amine.
What is the SMILES notation for N-[4-([1]benzofuro[3,2-c]pyridin-7-yl)phenyl]-N-(4-phenylphenyl)benzo[c]phenanthren-5-amine?
The canonical SMILES for N-[4-([1]benzofuro[3,2-c]pyridin-7-yl)phenyl]-N-(4-phenylphenyl)benzo[c]phenanthren-5-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)oc4ccncc45)cc3)c3cc4ccc5ccccc5c4c4ccccc34)cc2)cc1.
What is the InChIKey of N-[4-([1]benzofuro[3,2-c]pyridin-7-yl)phenyl]-N-(4-phenylphenyl)benzo[c]phenanthren-5-amine?
The InChIKey is KCJVPVDCDHFACD-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H30N2O/c1-2-8-31(9-3-1)32-16-21-37(22-17-32)49(44-28-36-15-14-34-10-4-5-11-39(34)47(36)42-13-7-6-12-40(42)44)38-23-18-33(19-24-38)35-20-25-41-43-30-48-27-26-45(43)50-46(41)29-35/h1-30H.
What are the key properties of N-[4-([1]benzofuro[3,2-c]pyridin-7-yl)phenyl]-N-(4-phenylphenyl)benzo[c]phenanthren-5-amine?
N-[4-([1]benzofuro[3,2-c]pyridin-7-yl)phenyl]-N-(4-phenylphenyl)benzo[c]phenanthren-5-amine has a molecular weight of 638.77 g/mol, XLogP of 13.24, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-([1]benzofuro[3,2-c]pyridin-7-yl)phenyl]-N-(4-phenylphenyl)benzo[c]phenanthren-5-amine is sourced from PubChem (CID 166862062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).