N,N-diphenyl-4-[20-[4-(N-phenylanilino)phenyl]-5-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17(22),18,20-undecaenyl]aniline

C58H40N2 — CID 132542294

IUPACN,N-diphenyl-4-[20-[4-(N-phenylanilino)phenyl]-5-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17(22),18,20-undecaenyl]aniline
SMILESc1ccc(N(c2ccccc2)c2ccc(-c3ccc4ccc5ccc6ccc7ccc(-c8ccc(N(c9ccccc9)c9ccccc9)cc8)cc7c6c5c4c3)cc2)cc1
InChIInChI=1S/C58H40N2/c1-5-13-49(14-6-1)59(50-15-7-2-8-16-50)53-35-31-41(32-36-53)47-29-23-43-21-25-45-27-28-46-26-22-44-24-30-48(40-56(44)58(46)57(45)55(43)39-47)42-33-37-54(38-34-42)60(51-17-9-3-10-18-51)52-19-11-4-12-20-52/h1-40H
InChIKeyLZBULMWCXKULNZ-UHFFFAOYSA-N
MW764.97 g/mol
LogP16.57
Rot. Bonds8

About N,N-diphenyl-4-[20-[4-(N-phenylanilino)phenyl]-5-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17(22),18,20-undecaenyl]aniline

N,N-diphenyl-4-[20-[4-(N-phenylanilino)phenyl]-5-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17(22),18,20-undecaenyl]aniline (PubChem CID 132542294) has the molecular formula C58H40N2 and a molecular weight of 764.97 g/mol. Its IUPAC name is N,N-diphenyl-4-[20-[4-(N-phenylanilino)phenyl]-5-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17(22),18,20-undecaenyl]aniline.

Molecular Properties

Compound NameN,N-diphenyl-4-[20-[4-(N-phenylanilino)phenyl]-5-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17(22),18,20-undecaenyl]aniline
PubChem CID132542294
Molecular FormulaC58H40N2
Molecular Weight764.97 g/mol
Exact Mass764.32
IUPAC NameN,N-diphenyl-4-[20-[4-(N-phenylanilino)phenyl]-5-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17(22),18,20-undecaenyl]aniline
SMILESc1ccc(N(c2ccccc2)c2ccc(-c3ccc4ccc5ccc6ccc7ccc(-c8ccc(N(c9ccccc9)c9ccccc9)cc8)cc7c6c5c4c3)cc2)cc1
InChIInChI=1S/C58H40N2/c1-5-13-49(14-6-1)59(50-15-7-2-8-16-50)53-35-31-41(32-36-53)47-29-23-43-21-25-45-27-28-46-26-22-44-24-30-48(40-56(44)58(46)57(45)55(43)39-47)42-33-37-54(38-34-42)60(51-17-9-3-10-18-51)52-19-11-4-12-20-52/h1-40H
InChIKeyLZBULMWCXKULNZ-UHFFFAOYSA-N
XLogP16.57
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500764.97
LogP ≤ 516.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze N,N-diphenyl-4-[20-[4-(N-phenylanilino)phenyl]-5-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17(22),18,20-undecaenyl]aniline with MolForge

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Related Compounds

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2-N,7-N,7-N-triphenyl-2-N-[4-[4-(N-[7-(N-phenylanilino)phenanthren-2-yl]anilino)phenyl]phenyl]phenanthrene-2,7-diamine
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N,N-bis[4-(4-phenanthren-2-ylphenyl)phenyl]-4-(4-phenylphenyl)aniline
CID 135299426
N,N-bis(4-phenanthren-2-ylphenyl)-4-phenylaniline
CID 135299389
N-phenyl-N-[4-(4-phenylphenyl)phenyl]benzo[g]phenanthren-3-amine
CID 167181851
2-N,7-N-diphenyl-7-N-(4-phenylphenyl)-2-N-[7-(N-(4-phenylphenyl)anilino)phenanthren-2-yl]phenanthrene-2,7-diamine
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CID 167183089
N-(4-benzo[c]phenanthren-2-ylphenyl)-7-phenyl-N-(4-phenylphenyl)naphthalen-2-amine
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N,N-diphenyl-4-[8-[4-(N-phenylanilino)phenyl]tetracen-2-yl]aniline
CID 58900733
3-(4-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-tetradecaenyl)-N,N-bis(4-phenylphenyl)aniline
CID 167410735

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-4-[20-[4-(N-phenylanilino)phenyl]-5-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17(22),18,20-undecaenyl]aniline?
The IUPAC name of N,N-diphenyl-4-[20-[4-(N-phenylanilino)phenyl]-5-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17(22),18,20-undecaenyl]aniline (CID 132542294) is N,N-diphenyl-4-[20-[4-(N-phenylanilino)phenyl]-5-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17(22),18,20-undecaenyl]aniline.
What is the SMILES notation for N,N-diphenyl-4-[20-[4-(N-phenylanilino)phenyl]-5-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17(22),18,20-undecaenyl]aniline?
The canonical SMILES for N,N-diphenyl-4-[20-[4-(N-phenylanilino)phenyl]-5-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17(22),18,20-undecaenyl]aniline is c1ccc(N(c2ccccc2)c2ccc(-c3ccc4ccc5ccc6ccc7ccc(-c8ccc(N(c9ccccc9)c9ccccc9)cc8)cc7c6c5c4c3)cc2)cc1.
What is the InChIKey of N,N-diphenyl-4-[20-[4-(N-phenylanilino)phenyl]-5-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17(22),18,20-undecaenyl]aniline?
The InChIKey is LZBULMWCXKULNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H40N2/c1-5-13-49(14-6-1)59(50-15-7-2-8-16-50)53-35-31-41(32-36-53)47-29-23-43-21-25-45-27-28-46-26-22-44-24-30-48(40-56(44)58(46)57(45)55(43)39-47)42-33-37-54(38-34-42)60(51-17-9-3-10-18-51)52-19-11-4-12-20-52/h1-40H.
What are the key properties of N,N-diphenyl-4-[20-[4-(N-phenylanilino)phenyl]-5-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17(22),18,20-undecaenyl]aniline?
N,N-diphenyl-4-[20-[4-(N-phenylanilino)phenyl]-5-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17(22),18,20-undecaenyl]aniline has a molecular weight of 764.97 g/mol, XLogP of 16.57, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-4-[20-[4-(N-phenylanilino)phenyl]-5-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17(22),18,20-undecaenyl]aniline is sourced from PubChem (CID 132542294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).