N-benzo[c]phenanthren-6-yl-N-(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-9-amine

C46H29NO — CID 167182901

IUPACN-benzo[c]phenanthren-6-yl-N-(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-9-amine
SMILESc1ccc(-c2cccc(N(c3ccc4cc5oc6ccccc6c5cc4c3)c3cc4ccccc4c4c3ccc3ccccc34)c2)cc1
InChIInChI=1S/C46H29NO/c1-2-11-30(12-3-1)32-15-10-16-36(25-32)47(37-23-21-33-29-45-42(27-35(33)26-37)40-19-8-9-20-44(40)48-45)43-28-34-14-5-7-18-39(34)46-38-17-6-4-13-31(38)22-24-41(43)46/h1-29H
InChIKeyHFIFEURBYZQVFZ-UHFFFAOYSA-N
MW611.74 g/mol
LogP13.34
Rot. Bonds4

About N-benzo[c]phenanthren-6-yl-N-(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-9-amine

N-benzo[c]phenanthren-6-yl-N-(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-9-amine (PubChem CID 167182901) has the molecular formula C46H29NO and a molecular weight of 611.74 g/mol. Its IUPAC name is N-benzo[c]phenanthren-6-yl-N-(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-9-amine.

Molecular Properties

Compound NameN-benzo[c]phenanthren-6-yl-N-(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-9-amine
PubChem CID167182901
Molecular FormulaC46H29NO
Molecular Weight611.74 g/mol
Exact Mass611.22
IUPAC NameN-benzo[c]phenanthren-6-yl-N-(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-9-amine
SMILESc1ccc(-c2cccc(N(c3ccc4cc5oc6ccccc6c5cc4c3)c3cc4ccccc4c4c3ccc3ccccc34)c2)cc1
InChIInChI=1S/C46H29NO/c1-2-11-30(12-3-1)32-15-10-16-36(25-32)47(37-23-21-33-29-45-42(27-35(33)26-37)40-19-8-9-20-44(40)48-45)43-28-34-14-5-7-18-39(34)46-38-17-6-4-13-31(38)22-24-41(43)46/h1-29H
InChIKeyHFIFEURBYZQVFZ-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-6-yl-N-phenylnaphtho[2,3-b][1]benzofuran-9-amine
CID 167183214
N-(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)-N-(3-phenylphenyl)dibenzofuran-3-amine
CID 177100565
N-naphtho[2,1-b][1]benzofuran-3-yl-N-(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine
CID 176616843
N-benzo[c]phenanthren-5-yl-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-3-amine
CID 167182090
N-chrysen-2-yl-N-(3-phenylphenyl)dibenzofuran-3-amine
CID 170137527
N-(6-phenylnaphthalen-2-yl)-N-(3-phenylphenyl)-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 170779368
N-naphthalen-1-yl-N-[7-(7-phenylnaphthalen-2-yl)naphthalen-2-yl]dibenzofuran-3-amine
CID 174256131
N-[3-[3-[dibenzofuran-4-yl-(6-phenylnaphthalen-2-yl)amino]phenyl]phenyl]-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-4-amine
CID 167086293
N-dibenzofuran-2-yl-N-(7-phenylphenanthren-9-yl)-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-18-amine
CID 170779179
1-dibenzofuran-3-yl-6-[4-[3-[N-(1-dibenzofuran-3-ylnaphthalen-2-yl)-4-(4-phenylphenyl)anilino]phenyl]phenyl]-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine
CID 156522847
N-(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)-N-phenyldibenzofuran-3-amine
CID 177100347
2-N,9-N-dinaphthalen-1-yl-2-N,9-N-diphenylnaphtho[2,3-b][1]benzofuran-2,9-diamine
CID 139573022

Frequently Asked Questions

What is the IUPAC name of N-benzo[c]phenanthren-6-yl-N-(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-9-amine?
The IUPAC name of N-benzo[c]phenanthren-6-yl-N-(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-9-amine (CID 167182901) is N-benzo[c]phenanthren-6-yl-N-(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-9-amine.
What is the SMILES notation for N-benzo[c]phenanthren-6-yl-N-(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-9-amine?
The canonical SMILES for N-benzo[c]phenanthren-6-yl-N-(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-9-amine is c1ccc(-c2cccc(N(c3ccc4cc5oc6ccccc6c5cc4c3)c3cc4ccccc4c4c3ccc3ccccc34)c2)cc1.
What is the InChIKey of N-benzo[c]phenanthren-6-yl-N-(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-9-amine?
The InChIKey is HFIFEURBYZQVFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29NO/c1-2-11-30(12-3-1)32-15-10-16-36(25-32)47(37-23-21-33-29-45-42(27-35(33)26-37)40-19-8-9-20-44(40)48-45)43-28-34-14-5-7-18-39(34)46-38-17-6-4-13-31(38)22-24-41(43)46/h1-29H.
What are the key properties of N-benzo[c]phenanthren-6-yl-N-(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-9-amine?
N-benzo[c]phenanthren-6-yl-N-(3-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[c]phenanthren-6-yl-N-(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-9-amine is sourced from PubChem (CID 167182901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).