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

C46H29NO — CID 167182090

IUPACN-benzo[c]phenanthren-5-yl-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-3-amine
SMILESc1ccc(-c2cccc(N(c3ccc4c(ccc5oc6ccccc6c54)c3)c3cc4ccc5ccccc5c4c4ccccc34)c2)cc1
InChIInChI=1S/C46H29NO/c1-2-11-30(12-3-1)32-14-10-15-35(27-32)47(36-24-25-38-33(28-36)23-26-44-46(38)41-19-8-9-20-43(41)48-44)42-29-34-22-21-31-13-4-5-16-37(31)45(34)40-18-7-6-17-39(40)42/h1-29H
InChIKeySHXPGWZXKSAKMT-UHFFFAOYSA-N
MW611.74 g/mol
LogP13.34
Rot. Bonds4

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

N-benzo[c]phenanthren-5-yl-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-3-amine (PubChem CID 167182090) 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-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-3-amine.

Molecular Properties

Compound NameN-benzo[c]phenanthren-5-yl-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-3-amine
PubChem CID167182090
Molecular FormulaC46H29NO
Molecular Weight611.74 g/mol
Exact Mass611.22
IUPAC NameN-benzo[c]phenanthren-5-yl-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-3-amine
SMILESc1ccc(-c2cccc(N(c3ccc4c(ccc5oc6ccccc6c54)c3)c3cc4ccc5ccccc5c4c4ccccc34)c2)cc1
InChIInChI=1S/C46H29NO/c1-2-11-30(12-3-1)32-14-10-15-35(27-32)47(36-24-25-38-33(28-36)23-26-44-46(38)41-19-8-9-20-43(41)48-44)42-29-34-22-21-31-13-4-5-16-37(31)45(34)40-18-7-6-17-39(40)42/h1-29H
InChIKeySHXPGWZXKSAKMT-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-(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-(4-benzo[c]phenanthren-1-ylphenyl)-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-4-amine
CID 170229719
N-benzo[c]phenanthren-6-yl-N-(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-9-amine
CID 167182901
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
3-naphthalen-2-yl-N-(4-naphtho[2,1-b][1]benzofuran-3-ylphenyl)-N-(4-phenylphenyl)aniline
CID 170030567
N-naphtho[2,1-b][1]benzofuran-3-yl-N-(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine
CID 176616843
N-phenyl-N-[3-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-2-amine
CID 170030263
N-naphthalen-1-yl-N-(3-phenylphenyl)-22-oxahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(23),16,18,20,24-dodecaen-4-amine
CID 167121639
N-phenanthren-9-yl-N-(3-phenylphenyl)-3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaen-18-amine;N-phenanthren-9-yl-N-(4-phenylphenyl)-3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaen-18-amine
CID 161154090
N-benzo[c]phenanthren-5-yl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-2-amine
CID 167183841
N-[2-[2-(4-naphtho[2,1-b][1]benzofuran-5-yl-N-phenanthren-9-ylanilino)phenyl]phenyl]-N-(4-phenanthren-2-ylphenyl)-7-phenylphenanthren-2-amine
CID 167086665
N-(4-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-2-amine
CID 170030395

Frequently Asked Questions

What is the IUPAC name of N-benzo[c]phenanthren-5-yl-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-3-amine?
The IUPAC name of N-benzo[c]phenanthren-5-yl-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-3-amine (CID 167182090) is N-benzo[c]phenanthren-5-yl-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-3-amine.
What is the SMILES notation for N-benzo[c]phenanthren-5-yl-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-3-amine?
The canonical SMILES for N-benzo[c]phenanthren-5-yl-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-3-amine is c1ccc(-c2cccc(N(c3ccc4c(ccc5oc6ccccc6c54)c3)c3cc4ccc5ccccc5c4c4ccccc34)c2)cc1.
What is the InChIKey of N-benzo[c]phenanthren-5-yl-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-3-amine?
The InChIKey is SHXPGWZXKSAKMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29NO/c1-2-11-30(12-3-1)32-14-10-15-35(27-32)47(36-24-25-38-33(28-36)23-26-44-46(38)41-19-8-9-20-43(41)48-44)42-29-34-22-21-31-13-4-5-16-37(31)45(34)40-18-7-6-17-39(40)42/h1-29H.
What are the key properties of N-benzo[c]phenanthren-5-yl-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-3-amine?
N-benzo[c]phenanthren-5-yl-N-(3-phenylphenyl)naphtho[2,1-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-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-3-amine is sourced from PubChem (CID 167182090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).