N-benzo[c]phenanthren-5-yl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-2-amine

C46H29NO — CID 167183035

IUPACN-benzo[c]phenanthren-5-yl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-2-amine
SMILESc1ccc2c(-c3ccc(N(c4ccc5oc6ccccc6c5c4)c4cc5ccc6ccccc6c5c5ccccc45)cc3)cccc2c1
InChIInChI=1S/C46H29NO/c1-3-13-36-30(10-1)12-9-18-37(36)32-22-24-34(25-23-32)47(35-26-27-45-42(29-35)40-16-7-8-19-44(40)48-45)43-28-33-21-20-31-11-2-4-14-38(31)46(33)41-17-6-5-15-39(41)43/h1-29H
InChIKeyIOLPLBQKJSXZNP-UHFFFAOYSA-N
MW611.74 g/mol
LogP13.34
Rot. Bonds4

About N-benzo[c]phenanthren-5-yl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-2-amine

N-benzo[c]phenanthren-5-yl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-2-amine (PubChem CID 167183035) has the molecular formula C46H29NO and a molecular weight of 611.74 g/mol. Its IUPAC name is N-benzo[c]phenanthren-5-yl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-2-amine.

Molecular Properties

Compound NameN-benzo[c]phenanthren-5-yl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-2-amine
PubChem CID167183035
Molecular FormulaC46H29NO
Molecular Weight611.74 g/mol
Exact Mass611.22
IUPAC NameN-benzo[c]phenanthren-5-yl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-2-amine
SMILESc1ccc2c(-c3ccc(N(c4ccc5oc6ccccc6c5c4)c4cc5ccc6ccccc6c5c5ccccc45)cc3)cccc2c1
InChIInChI=1S/C46H29NO/c1-3-13-36-30(10-1)12-9-18-37(36)32-22-24-34(25-23-32)47(35-26-27-45-42(29-35)40-16-7-8-19-44(40)48-45)43-28-33-21-20-31-11-2-4-14-38(31)46(33)41-17-6-5-15-39(41)43/h1-29H
InChIKeyIOLPLBQKJSXZNP-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-dibenzofuran-2-yl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-2-amine
CID 121325430
N-benzo[c]phenanthren-2-yl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine
CID 167184393
N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)benzo[c]phenanthren-5-amine
CID 167183072
N-benzo[c]phenanthren-5-yl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-2-amine
CID 167183841
N-(5-naphthalen-1-yl-2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 167234918
3-N-dibenzofuran-2-yl-10-N-naphthalen-1-yl-10-N-(4-naphthalen-1-ylphenyl)-3-N-phenylphenanthrene-3,10-diamine
CID 170283773
N-(4-dibenzofuran-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaen-4-amine
CID 167411960
N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)heptacyclo[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 167412293
N-(4-naphthalen-1-ylphenyl)-N-(2-naphtho[1,2-b][1]benzofuran-8-ylphenyl)dibenzofuran-2-amine
CID 174280847
N-dibenzofuran-1-yl-N-(4-naphthalen-1-ylphenyl)naphtho[2,1-b][1]benzofuran-3-amine
CID 170032080
N-(2-dibenzofuran-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine
CID 167326199
N-naphthalen-2-yl-N-(7-naphthalen-1-ylnaphthalen-1-yl)dibenzofuran-2-amine
CID 176588089

Frequently Asked Questions

What is the IUPAC name of N-benzo[c]phenanthren-5-yl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-2-amine?
The IUPAC name of N-benzo[c]phenanthren-5-yl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-2-amine (CID 167183035) is N-benzo[c]phenanthren-5-yl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-2-amine.
What is the SMILES notation for N-benzo[c]phenanthren-5-yl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-2-amine?
The canonical SMILES for N-benzo[c]phenanthren-5-yl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-2-amine is c1ccc2c(-c3ccc(N(c4ccc5oc6ccccc6c5c4)c4cc5ccc6ccccc6c5c5ccccc45)cc3)cccc2c1.
What is the InChIKey of N-benzo[c]phenanthren-5-yl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-2-amine?
The InChIKey is IOLPLBQKJSXZNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29NO/c1-3-13-36-30(10-1)12-9-18-37(36)32-22-24-34(25-23-32)47(35-26-27-45-42(29-35)40-16-7-8-19-44(40)48-45)43-28-33-21-20-31-11-2-4-14-38(31)46(33)41-17-6-5-15-39(41)43/h1-29H.
What are the key properties of N-benzo[c]phenanthren-5-yl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-2-amine?
N-benzo[c]phenanthren-5-yl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-2-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-5-yl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-2-amine is sourced from PubChem (CID 167183035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).