N-benzo[g]phenanthren-3-yl-N-(4-phenylphenyl)dibenzofuran-4-amine

C42H27NO — CID 167182773

IUPACN-benzo[g]phenanthren-3-yl-N-(4-phenylphenyl)dibenzofuran-4-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(ccc5ccc6ccccc6c54)c3)c3cccc4c3oc3ccccc34)cc2)cc1
InChIInChI=1S/C42H27NO/c1-2-9-28(10-3-1)29-21-23-33(24-22-29)43(39-15-8-14-38-37-13-6-7-16-40(37)44-42(38)39)34-25-26-36-32(27-34)20-19-31-18-17-30-11-4-5-12-35(30)41(31)36/h1-27H
InChIKeySVLICVWZAAHMTA-UHFFFAOYSA-N
MW561.68 g/mol
LogP12.18
Rot. Bonds4

About N-benzo[g]phenanthren-3-yl-N-(4-phenylphenyl)dibenzofuran-4-amine

N-benzo[g]phenanthren-3-yl-N-(4-phenylphenyl)dibenzofuran-4-amine (PubChem CID 167182773) has the molecular formula C42H27NO and a molecular weight of 561.68 g/mol. Its IUPAC name is N-benzo[g]phenanthren-3-yl-N-(4-phenylphenyl)dibenzofuran-4-amine.

Molecular Properties

Compound NameN-benzo[g]phenanthren-3-yl-N-(4-phenylphenyl)dibenzofuran-4-amine
PubChem CID167182773
Molecular FormulaC42H27NO
Molecular Weight561.68 g/mol
Exact Mass561.21
IUPAC NameN-benzo[g]phenanthren-3-yl-N-(4-phenylphenyl)dibenzofuran-4-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(ccc5ccc6ccccc6c54)c3)c3cccc4c3oc3ccccc34)cc2)cc1
InChIInChI=1S/C42H27NO/c1-2-9-28(10-3-1)29-21-23-33(24-22-29)43(39-15-8-14-38-37-13-6-7-16-40(37)44-42(38)39)34-25-26-36-32(27-34)20-19-31-18-17-30-11-4-5-12-35(30)41(31)36/h1-27H
InChIKeySVLICVWZAAHMTA-UHFFFAOYSA-N
XLogP12.18
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.68
LogP ≤ 512.18
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

5-N,18-N-di(dibenzofuran-4-yl)-5-N,18-N-bis(4-phenylphenyl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21-undecaene-5,18-diamine;5-N,18-N-di(dibenzofuran-4-yl)-5-N,18-N-dinaphthalen-1-ylpentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21-undecaene-5,18-diamine
CID 159519229
N-benzo[g]phenanthren-3-yl-N-(4-phenylphenyl)-[1]benzofuro[2,3-c]pyridin-8-amine
CID 166861010
N-(4-benzo[g]phenanthren-3-ylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 167183316
3-N-dibenzofuran-4-yl-10-N,10-N-diphenyl-3-N-(4-phenylphenyl)phenanthrene-3,10-diamine
CID 170283931
N-dibenzofuran-3-yl-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine
CID 168804045
N-naphthalen-2-yl-N-(4-phenylphenyl)-3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaen-5-amine
CID 130466786
N-(4-benzo[g]phenanthren-3-ylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 167182004
N-phenanthren-1-yl-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 118369410
N-dibenzofuran-3-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 121241788
N-(3-phenylphenyl)-N-[3-[3-(4-phenyl-N-(6-phenylnaphthalen-2-yl)anilino)phenyl]phenyl]dibenzofuran-4-amine
CID 167086684
N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 166566280
N-(4-benzo[c]phenanthren-5-ylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-4-amine
CID 167181692

Frequently Asked Questions

What is the IUPAC name of N-benzo[g]phenanthren-3-yl-N-(4-phenylphenyl)dibenzofuran-4-amine?
The IUPAC name of N-benzo[g]phenanthren-3-yl-N-(4-phenylphenyl)dibenzofuran-4-amine (CID 167182773) is N-benzo[g]phenanthren-3-yl-N-(4-phenylphenyl)dibenzofuran-4-amine.
What is the SMILES notation for N-benzo[g]phenanthren-3-yl-N-(4-phenylphenyl)dibenzofuran-4-amine?
The canonical SMILES for N-benzo[g]phenanthren-3-yl-N-(4-phenylphenyl)dibenzofuran-4-amine is c1ccc(-c2ccc(N(c3ccc4c(ccc5ccc6ccccc6c54)c3)c3cccc4c3oc3ccccc34)cc2)cc1.
What is the InChIKey of N-benzo[g]phenanthren-3-yl-N-(4-phenylphenyl)dibenzofuran-4-amine?
The InChIKey is SVLICVWZAAHMTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27NO/c1-2-9-28(10-3-1)29-21-23-33(24-22-29)43(39-15-8-14-38-37-13-6-7-16-40(37)44-42(38)39)34-25-26-36-32(27-34)20-19-31-18-17-30-11-4-5-12-35(30)41(31)36/h1-27H.
What are the key properties of N-benzo[g]phenanthren-3-yl-N-(4-phenylphenyl)dibenzofuran-4-amine?
N-benzo[g]phenanthren-3-yl-N-(4-phenylphenyl)dibenzofuran-4-amine has a molecular weight of 561.68 g/mol, XLogP of 12.18, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzo[g]phenanthren-3-yl-N-(4-phenylphenyl)dibenzofuran-4-amine is sourced from PubChem (CID 167182773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).