N-(4-benzo[c]phenanthren-1-ylphenyl)-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-4-amine

C52H33NO — CID 170229719

IUPACN-(4-benzo[c]phenanthren-1-ylphenyl)-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-4-amine
SMILESc1ccc(-c2cccc(N(c3ccc(-c4cccc5ccc6ccc7ccccc7c6c45)cc3)c3cccc4c3ccc3oc5ccccc5c34)c2)cc1
InChIInChI=1S/C52H33NO/c1-2-11-34(12-3-1)39-15-8-16-41(33-39)53(47-21-10-20-45-44(47)31-32-49-52(45)46-18-6-7-22-48(46)54-49)40-29-27-36(28-30-40)43-19-9-14-37-25-26-38-24-23-35-13-4-5-17-42(35)51(38)50(37)43/h1-33H
InChIKeyGEGCBGTUDQWQLV-UHFFFAOYSA-N
MW687.84 g/mol
LogP15.00
Rot. Bonds5

About N-(4-benzo[c]phenanthren-1-ylphenyl)-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-4-amine

N-(4-benzo[c]phenanthren-1-ylphenyl)-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-4-amine (PubChem CID 170229719) has the molecular formula C52H33NO and a molecular weight of 687.84 g/mol. Its IUPAC name is N-(4-benzo[c]phenanthren-1-ylphenyl)-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-4-amine.

Molecular Properties

Compound NameN-(4-benzo[c]phenanthren-1-ylphenyl)-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-4-amine
PubChem CID170229719
Molecular FormulaC52H33NO
Molecular Weight687.84 g/mol
Exact Mass687.26
IUPAC NameN-(4-benzo[c]phenanthren-1-ylphenyl)-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-4-amine
SMILESc1ccc(-c2cccc(N(c3ccc(-c4cccc5ccc6ccc7ccccc7c6c45)cc3)c3cccc4c3ccc3oc5ccccc5c34)c2)cc1
InChIInChI=1S/C52H33NO/c1-2-11-34(12-3-1)39-15-8-16-41(33-39)53(47-21-10-20-45-44(47)31-32-49-52(45)46-18-6-7-22-48(46)54-49)40-29-27-36(28-30-40)43-19-9-14-37-25-26-38-24-23-35-13-4-5-17-42(35)51(38)50(37)43/h1-33H
InChIKeyGEGCBGTUDQWQLV-UHFFFAOYSA-N
XLogP15.00
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500687.84
LogP ≤ 515.00
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-(3-dibenzofuran-1-ylphenyl)-N-(4-phenylphenyl)chrysen-1-amine
CID 170137895
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-(3-dibenzofuran-1-ylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 170033252
N-(3-dibenzofuran-1-ylphenyl)-N-[4-(10-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaenyl)phenyl]-3-phenylaniline
CID 177100631
N-[4-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,14,16(24),18,20,22-undecaen-6-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine;4-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,14,16(24),18,20,22-undecaen-6-yl)-N-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline;N-[4-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,14,16(24),18,20,22-undecaen-6-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 158392886
N-benzo[c]phenanthren-5-yl-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-3-amine
CID 167182090
N-(4-benzo[g]phenanthren-4-ylphenyl)-N-(2-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
CID 167183177
N-[3-(4-naphtho[2,1-b][1]benzofuran-2-yl-2-phenylphenyl)phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 170127172
N-phenyl-N-[3-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-2-amine
CID 170030263
N-(3-dibenzofuran-1-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-2-phenylaniline
CID 170535022
N-(4-benzo[c]phenanthren-2-ylphenyl)-N-(2-phenylphenyl)dibenzofuran-2-amine
CID 167182926
N-[3-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 169285534

Frequently Asked Questions

What is the IUPAC name of N-(4-benzo[c]phenanthren-1-ylphenyl)-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-4-amine?
The IUPAC name of N-(4-benzo[c]phenanthren-1-ylphenyl)-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-4-amine (CID 170229719) is N-(4-benzo[c]phenanthren-1-ylphenyl)-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-4-amine.
What is the SMILES notation for N-(4-benzo[c]phenanthren-1-ylphenyl)-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-4-amine?
The canonical SMILES for N-(4-benzo[c]phenanthren-1-ylphenyl)-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-4-amine is c1ccc(-c2cccc(N(c3ccc(-c4cccc5ccc6ccc7ccccc7c6c45)cc3)c3cccc4c3ccc3oc5ccccc5c34)c2)cc1.
What is the InChIKey of N-(4-benzo[c]phenanthren-1-ylphenyl)-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-4-amine?
The InChIKey is GEGCBGTUDQWQLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33NO/c1-2-11-34(12-3-1)39-15-8-16-41(33-39)53(47-21-10-20-45-44(47)31-32-49-52(45)46-18-6-7-22-48(46)54-49)40-29-27-36(28-30-40)43-19-9-14-37-25-26-38-24-23-35-13-4-5-17-42(35)51(38)50(37)43/h1-33H.
What are the key properties of N-(4-benzo[c]phenanthren-1-ylphenyl)-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-4-amine?
N-(4-benzo[c]phenanthren-1-ylphenyl)-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-4-amine has a molecular weight of 687.84 g/mol, XLogP of 15.00, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-benzo[c]phenanthren-1-ylphenyl)-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-4-amine is sourced from PubChem (CID 170229719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).