N-benzo[c]phenanthren-5-yl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-2-amine

C46H29NO — CID 167183841

IUPACN-benzo[c]phenanthren-5-yl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc4oc5cc6ccccc6cc5c4c3)c3cc4ccc5ccccc5c4c4ccccc34)cc2)cc1
InChIInChI=1S/C46H29NO/c1-2-10-30(11-3-1)31-20-22-36(23-21-31)47(37-24-25-44-42(29-37)41-26-33-13-4-5-14-34(33)28-45(41)48-44)43-27-35-19-18-32-12-6-7-15-38(32)46(35)40-17-9-8-16-39(40)43/h1-29H
InChIKeySCAZJLBKHDHKFZ-UHFFFAOYSA-N
MW611.74 g/mol
LogP13.34
Rot. Bonds4

About N-benzo[c]phenanthren-5-yl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-2-amine

N-benzo[c]phenanthren-5-yl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-2-amine (PubChem CID 167183841) 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-phenylphenyl)naphtho[2,3-b][1]benzofuran-2-amine.

Molecular Properties

Compound NameN-benzo[c]phenanthren-5-yl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-2-amine
PubChem CID167183841
Molecular FormulaC46H29NO
Molecular Weight611.74 g/mol
Exact Mass611.22
IUPAC NameN-benzo[c]phenanthren-5-yl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc4oc5cc6ccccc6cc5c4c3)c3cc4ccc5ccccc5c4c4ccccc34)cc2)cc1
InChIInChI=1S/C46H29NO/c1-2-10-30(11-3-1)31-20-22-36(23-21-31)47(37-24-25-44-42(29-37)41-26-33-13-4-5-14-34(33)28-45(41)48-44)43-27-35-19-18-32-12-6-7-15-38(32)46(35)40-17-9-8-16-39(40)43/h1-29H
InChIKeySCAZJLBKHDHKFZ-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-5-yl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-2-amine
CID 167183035
N-benzo[c]phenanthren-5-yl-1-methyl-N-(4-phenylphenyl)-2H-[1]benzofuro[2,3-b]pyridin-6-amine
CID 166860603
N-naphthalen-2-yl-N-(4-phenylphenyl)-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-15-amine
CID 170779635
N-phenanthren-9-yl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-2-amine
CID 89295821
2-N,9-N-dinaphthalen-1-yl-2-N,9-N-diphenylnaphtho[2,3-b][1]benzofuran-2,9-diamine
CID 139573022
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-phenyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine
CID 153468594
1-N-(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-yl)-3-N-phenanthren-9-yl-3-N-phenyl-1-N-(4-phenylphenyl)benzene-1,3-diamine
CID 170779449
N-benzo[c]phenanthren-5-yl-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-3-amine
CID 167182090
N-[4-[3-[4-[3-(N-benzo[c]phenanthren-5-yl-4-phenylanilino)phenyl]phenyl]phenyl]phenyl]-N-(4-phenylphenyl)benzo[c]phenanthren-5-amine
CID 170226506
N-naphthalen-1-yl-N-(3-naphthalen-2-ylphenyl)naphtho[2,3-b][1]benzofuran-2-amine
CID 170272586
N-[4-([1]benzofuro[3,2-c]pyridin-7-yl)phenyl]-N-(4-phenylphenyl)benzo[c]phenanthren-5-amine
CID 166862062

Frequently Asked Questions

What is the IUPAC name of N-benzo[c]phenanthren-5-yl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-2-amine?
The IUPAC name of N-benzo[c]phenanthren-5-yl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-2-amine (CID 167183841) is N-benzo[c]phenanthren-5-yl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-2-amine.
What is the SMILES notation for N-benzo[c]phenanthren-5-yl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-2-amine?
The canonical SMILES for N-benzo[c]phenanthren-5-yl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-2-amine is c1ccc(-c2ccc(N(c3ccc4oc5cc6ccccc6cc5c4c3)c3cc4ccc5ccccc5c4c4ccccc34)cc2)cc1.
What is the InChIKey of N-benzo[c]phenanthren-5-yl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-2-amine?
The InChIKey is SCAZJLBKHDHKFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29NO/c1-2-10-30(11-3-1)31-20-22-36(23-21-31)47(37-24-25-44-42(29-37)41-26-33-13-4-5-14-34(33)28-45(41)48-44)43-27-35-19-18-32-12-6-7-15-38(32)46(35)40-17-9-8-16-39(40)43/h1-29H.
What are the key properties of N-benzo[c]phenanthren-5-yl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-2-amine?
N-benzo[c]phenanthren-5-yl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-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-phenylphenyl)naphtho[2,3-b][1]benzofuran-2-amine is sourced from PubChem (CID 167183841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).