N-benzo[g]phenanthren-4-yl-N-(2-phenylphenyl)naphtho[2,3-b][1]benzofuran-9-amine

C46H29NO — CID 167183875

IUPACN-benzo[g]phenanthren-4-yl-N-(2-phenylphenyl)naphtho[2,3-b][1]benzofuran-9-amine
SMILESc1ccc(-c2ccccc2N(c2ccc3cc4oc5ccccc5c4cc3c2)c2cccc3c2ccc2ccc4ccccc4c23)cc1
InChIInChI=1S/C46H29NO/c1-2-11-30(12-3-1)36-14-6-8-18-42(36)47(35-25-23-33-29-45-41(28-34(33)27-35)39-16-7-9-20-44(39)48-45)43-19-10-17-40-38(43)26-24-32-22-21-31-13-4-5-15-37(31)46(32)40/h1-29H
InChIKeyKEVKXHFFCQMQAB-UHFFFAOYSA-N
MW611.74 g/mol
LogP13.34
Rot. Bonds4

About N-benzo[g]phenanthren-4-yl-N-(2-phenylphenyl)naphtho[2,3-b][1]benzofuran-9-amine

N-benzo[g]phenanthren-4-yl-N-(2-phenylphenyl)naphtho[2,3-b][1]benzofuran-9-amine (PubChem CID 167183875) has the molecular formula C46H29NO and a molecular weight of 611.74 g/mol. Its IUPAC name is N-benzo[g]phenanthren-4-yl-N-(2-phenylphenyl)naphtho[2,3-b][1]benzofuran-9-amine.

Molecular Properties

Compound NameN-benzo[g]phenanthren-4-yl-N-(2-phenylphenyl)naphtho[2,3-b][1]benzofuran-9-amine
PubChem CID167183875
Molecular FormulaC46H29NO
Molecular Weight611.74 g/mol
Exact Mass611.22
IUPAC NameN-benzo[g]phenanthren-4-yl-N-(2-phenylphenyl)naphtho[2,3-b][1]benzofuran-9-amine
SMILESc1ccc(-c2ccccc2N(c2ccc3cc4oc5ccccc5c4cc3c2)c2cccc3c2ccc2ccc4ccccc4c23)cc1
InChIInChI=1S/C46H29NO/c1-2-11-30(12-3-1)36-14-6-8-18-42(36)47(35-25-23-33-29-45-41(28-34(33)27-35)39-16-7-9-20-44(39)48-45)43-19-10-17-40-38(43)26-24-32-22-21-31-13-4-5-15-37(31)46(32)40/h1-29H
InChIKeyKEVKXHFFCQMQAB-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[c]phenanthren-2-yl-N-(2-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-amine
CID 167182049
N-benzo[c]phenanthren-5-yl-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-3-amine
CID 167182283
7-N,17-N,17-N-tris(2-phenylphenyl)-7-N-(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-7,17-diamine
CID 168753210
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-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]-N-(2-phenylphenyl)dibenzofuran-3-amine
CID 174256560
N-naphthalen-2-yl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-1-amine
CID 172501948
N-naphthalen-1-yl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-2-amine
CID 172503063
9-N,23-N-diphenyl-9-N,23-N-bis(2-phenylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine
CID 155361206
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-(4-benzo[g]phenanthren-4-ylphenyl)-N-(2-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
CID 167183177
N-(2-naphthalen-1-ylphenyl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine
CID 170301571

Frequently Asked Questions

What is the IUPAC name of N-benzo[g]phenanthren-4-yl-N-(2-phenylphenyl)naphtho[2,3-b][1]benzofuran-9-amine?
The IUPAC name of N-benzo[g]phenanthren-4-yl-N-(2-phenylphenyl)naphtho[2,3-b][1]benzofuran-9-amine (CID 167183875) is N-benzo[g]phenanthren-4-yl-N-(2-phenylphenyl)naphtho[2,3-b][1]benzofuran-9-amine.
What is the SMILES notation for N-benzo[g]phenanthren-4-yl-N-(2-phenylphenyl)naphtho[2,3-b][1]benzofuran-9-amine?
The canonical SMILES for N-benzo[g]phenanthren-4-yl-N-(2-phenylphenyl)naphtho[2,3-b][1]benzofuran-9-amine is c1ccc(-c2ccccc2N(c2ccc3cc4oc5ccccc5c4cc3c2)c2cccc3c2ccc2ccc4ccccc4c23)cc1.
What is the InChIKey of N-benzo[g]phenanthren-4-yl-N-(2-phenylphenyl)naphtho[2,3-b][1]benzofuran-9-amine?
The InChIKey is KEVKXHFFCQMQAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29NO/c1-2-11-30(12-3-1)36-14-6-8-18-42(36)47(35-25-23-33-29-45-41(28-34(33)27-35)39-16-7-9-20-44(39)48-45)43-19-10-17-40-38(43)26-24-32-22-21-31-13-4-5-15-37(31)46(32)40/h1-29H.
What are the key properties of N-benzo[g]phenanthren-4-yl-N-(2-phenylphenyl)naphtho[2,3-b][1]benzofuran-9-amine?
N-benzo[g]phenanthren-4-yl-N-(2-phenylphenyl)naphtho[2,3-b][1]benzofuran-9-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[g]phenanthren-4-yl-N-(2-phenylphenyl)naphtho[2,3-b][1]benzofuran-9-amine is sourced from PubChem (CID 167183875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).