N-chrysen-5-yl-N-(4-phenylphenyl)naphtho[7,6-b][1]benzofuran-7-amine

C46H29NO — CID 170140601

IUPACN-chrysen-5-yl-N-(4-phenylphenyl)naphtho[7,6-b][1]benzofuran-7-amine
SMILESc1ccc(-c2ccc(N(c3cccc4cc5c(cc34)oc3ccccc35)c3cc4ccccc4c4ccc5ccccc5c34)cc2)cc1
InChIInChI=1S/C46H29NO/c1-2-11-30(12-3-1)31-21-24-35(25-22-31)47(42-19-10-15-33-27-41-38-18-8-9-20-44(38)48-45(41)29-40(33)42)43-28-34-14-5-6-16-36(34)39-26-23-32-13-4-7-17-37(32)46(39)43/h1-29H
InChIKeyJSQNZEUTHMUDRA-UHFFFAOYSA-N
MW611.74 g/mol
LogP13.34
Rot. Bonds4

About N-chrysen-5-yl-N-(4-phenylphenyl)naphtho[7,6-b][1]benzofuran-7-amine

N-chrysen-5-yl-N-(4-phenylphenyl)naphtho[7,6-b][1]benzofuran-7-amine (PubChem CID 170140601) has the molecular formula C46H29NO and a molecular weight of 611.74 g/mol. Its IUPAC name is N-chrysen-5-yl-N-(4-phenylphenyl)naphtho[7,6-b][1]benzofuran-7-amine.

Molecular Properties

Compound NameN-chrysen-5-yl-N-(4-phenylphenyl)naphtho[7,6-b][1]benzofuran-7-amine
PubChem CID170140601
Molecular FormulaC46H29NO
Molecular Weight611.74 g/mol
Exact Mass611.22
IUPAC NameN-chrysen-5-yl-N-(4-phenylphenyl)naphtho[7,6-b][1]benzofuran-7-amine
SMILESc1ccc(-c2ccc(N(c3cccc4cc5c(cc34)oc3ccccc35)c3cc4ccccc4c4ccc5ccccc5c34)cc2)cc1
InChIInChI=1S/C46H29NO/c1-2-11-30(12-3-1)31-21-24-35(25-22-31)47(42-19-10-15-33-27-41-38-18-8-9-20-44(38)48-45(41)29-40(33)42)43-28-34-14-5-6-16-36(34)39-26-23-32-13-4-7-17-37(32)46(39)43/h1-29H
InChIKeyJSQNZEUTHMUDRA-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-chrysen-4-ylphenyl)-N-(4-phenylphenyl)naphtho[7,6-b][1]benzofuran-7-amine
CID 170675888
1-N,5-N-di(dibenzofuran-2-yl)-1-N,5-N-diphenylchrysene-1,5-diamine
CID 170410722
N-phenyl-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-14-amine
CID 170779008
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-(2-dibenzofuran-3-yl-3-phenylphenyl)-N-(4-phenylphenyl)phenanthren-9-amine
CID 170665807
N-dibenzofuran-1-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(21),17,19-decaen-18-amine
CID 170778911
N,N-bis(4-phenylphenyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14,16,18-nonaen-5-amine
CID 171050107
N-phenanthren-1-yl-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 118369410
N-(4-dibenzofuran-2-ylphenyl)-N-naphthalen-1-yldibenzofuran-3-amine
CID 129085231
5-N,18-N-di(dibenzofuran-4-yl)-5-N,18-N-bis(4-phenylphenyl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21-undecaene-5,18-diamine;5-N,18-N-di(dibenzofuran-4-yl)-5-N,18-N-dinaphthalen-1-ylpentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21-undecaene-5,18-diamine
CID 159519229
N-benzo[c]phenanthren-6-yl-N-(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-9-amine
CID 167182901
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

Frequently Asked Questions

What is the IUPAC name of N-chrysen-5-yl-N-(4-phenylphenyl)naphtho[7,6-b][1]benzofuran-7-amine?
The IUPAC name of N-chrysen-5-yl-N-(4-phenylphenyl)naphtho[7,6-b][1]benzofuran-7-amine (CID 170140601) is N-chrysen-5-yl-N-(4-phenylphenyl)naphtho[7,6-b][1]benzofuran-7-amine.
What is the SMILES notation for N-chrysen-5-yl-N-(4-phenylphenyl)naphtho[7,6-b][1]benzofuran-7-amine?
The canonical SMILES for N-chrysen-5-yl-N-(4-phenylphenyl)naphtho[7,6-b][1]benzofuran-7-amine is c1ccc(-c2ccc(N(c3cccc4cc5c(cc34)oc3ccccc35)c3cc4ccccc4c4ccc5ccccc5c34)cc2)cc1.
What is the InChIKey of N-chrysen-5-yl-N-(4-phenylphenyl)naphtho[7,6-b][1]benzofuran-7-amine?
The InChIKey is JSQNZEUTHMUDRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29NO/c1-2-11-30(12-3-1)31-21-24-35(25-22-31)47(42-19-10-15-33-27-41-38-18-8-9-20-44(38)48-45(41)29-40(33)42)43-28-34-14-5-6-16-36(34)39-26-23-32-13-4-7-17-37(32)46(39)43/h1-29H.
What are the key properties of N-chrysen-5-yl-N-(4-phenylphenyl)naphtho[7,6-b][1]benzofuran-7-amine?
N-chrysen-5-yl-N-(4-phenylphenyl)naphtho[7,6-b][1]benzofuran-7-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-chrysen-5-yl-N-(4-phenylphenyl)naphtho[7,6-b][1]benzofuran-7-amine is sourced from PubChem (CID 170140601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).