N-benzo[c]phenanthren-5-yl-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-3-amine

C46H29NO — CID 167182283

IUPACN-benzo[c]phenanthren-5-yl-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-3-amine
SMILESc1ccc(-c2ccccc2N(c2ccc3c(ccc4c5ccccc5oc34)c2)c2cc3ccc4ccccc4c3c3ccccc23)cc1
InChIInChI=1S/C46H29NO/c1-2-12-30(13-3-1)35-15-8-10-20-42(35)47(34-25-27-37-32(28-34)24-26-41-39-18-9-11-21-44(39)48-46(37)41)43-29-33-23-22-31-14-4-5-16-36(31)45(33)40-19-7-6-17-38(40)43/h1-29H
InChIKeyMHHJWXOAVFHFCC-UHFFFAOYSA-N
MW611.74 g/mol
LogP13.34
Rot. Bonds4

About N-benzo[c]phenanthren-5-yl-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-3-amine

N-benzo[c]phenanthren-5-yl-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-3-amine (PubChem CID 167182283) 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-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-3-amine.

Molecular Properties

Compound NameN-benzo[c]phenanthren-5-yl-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-3-amine
PubChem CID167182283
Molecular FormulaC46H29NO
Molecular Weight611.74 g/mol
Exact Mass611.22
IUPAC NameN-benzo[c]phenanthren-5-yl-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-3-amine
SMILESc1ccc(-c2ccccc2N(c2ccc3c(ccc4c5ccccc5oc34)c2)c2cc3ccc4ccccc4c3c3ccccc23)cc1
InChIInChI=1S/C46H29NO/c1-2-12-30(13-3-1)35-15-8-10-20-42(35)47(34-25-27-37-32(28-34)24-26-41-39-18-9-11-21-44(39)48-46(37)41)43-29-33-23-22-31-14-4-5-16-36(31)45(33)40-19-7-6-17-38(40)43/h1-29H
InChIKeyMHHJWXOAVFHFCC-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-(4-benzo[c]phenanthren-5-ylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-4-amine
CID 167181692
N-benzo[g]phenanthren-4-yl-N-(2-phenylphenyl)naphtho[2,3-b][1]benzofuran-9-amine
CID 167183875
N-(4-naphthalen-1-ylphenyl)-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-4-amine
CID 167277315
N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(2-phenylphenyl)dibenzofuran-3-amine
CID 167330637
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-phenanthren-9-ylnaphtho[1,2-b][1]benzofuran-3-amine
CID 167277546
N-(4-dibenzofuran-4-ylphenyl)-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 168804121
N-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]benzo[c]phenanthren-5-amine
CID 171054209
N-naphthalen-2-yl-N,7-bis(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 155423356
N-(2-dibenzofuran-4-ylphenyl)-N-(2-phenylphenyl)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 167413071
N-(4-phenanthren-9-ylphenyl)-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine
CID 167277432
N-phenanthren-2-yl-N-(2-phenylphenyl)-4-(4-phenylphenyl)dibenzofuran-1-amine
CID 176820810
N,N-bis(4-phenylnaphthalen-1-yl)naphtho[1,2-b][1]benzofuran-2-amine
CID 170272646

Frequently Asked Questions

What is the IUPAC name of N-benzo[c]phenanthren-5-yl-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-3-amine?
The IUPAC name of N-benzo[c]phenanthren-5-yl-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-3-amine (CID 167182283) is N-benzo[c]phenanthren-5-yl-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-3-amine.
What is the SMILES notation for N-benzo[c]phenanthren-5-yl-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-3-amine?
The canonical SMILES for N-benzo[c]phenanthren-5-yl-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-3-amine is c1ccc(-c2ccccc2N(c2ccc3c(ccc4c5ccccc5oc34)c2)c2cc3ccc4ccccc4c3c3ccccc23)cc1.
What is the InChIKey of N-benzo[c]phenanthren-5-yl-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-3-amine?
The InChIKey is MHHJWXOAVFHFCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29NO/c1-2-12-30(13-3-1)35-15-8-10-20-42(35)47(34-25-27-37-32(28-34)24-26-41-39-18-9-11-21-44(39)48-46(37)41)43-29-33-23-22-31-14-4-5-16-36(31)45(33)40-19-7-6-17-38(40)43/h1-29H.
What are the key properties of N-benzo[c]phenanthren-5-yl-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-3-amine?
N-benzo[c]phenanthren-5-yl-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-3-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-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-3-amine is sourced from PubChem (CID 167182283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).