1-[12-(2,3-diphenylindol-1-yl)chrysen-6-yl]-2,3-diphenylindole;1-[4-[4-(2,3-diphenylindol-1-yl)phenyl]phenyl]-2,3-diphenylindole

C110H74N4 — CID 162026285

IUPAC1-[12-(2,3-diphenylindol-1-yl)chrysen-6-yl]-2,3-diphenylindole;1-[4-[4-(2,3-diphenylindol-1-yl)phenyl]phenyl]-2,3-diphenylindole
SMILESc1ccc(-c2c(-c3ccccc3)n(-c3cc4c5ccccc5c(-n5c(-c6ccccc6)c(-c6ccccc6)c6ccccc65)cc4c4ccccc34)c3ccccc23)cc1.c1ccc(-c2c(-c3ccccc3)n(-c3ccc(-c4ccc(-n5c(-c6ccccc6)c(-c6ccccc6)c6ccccc65)cc4)cc3)c3ccccc23)cc1
InChIInChI=1S/C58H38N2.C52H36N2/c1-5-21-39(22-6-1)55-47-33-17-19-35-51(47)59(57(55)41-25-9-3-10-26-41)53-37-49-44-30-14-16-32-46(44)54(38-50(49)43-29-13-15-31-45(43)53)60-52-36-20-18-34-48(52)56(40-23-7-2-8-24-40)58(60)42-27-11-4-12-28-42;1-5-17-39(18-6-1)49-45-25-13-15-27-47(45)53(51(49)41-21-9-3-10-22-41)43-33-29-37(30-34-43)38-31-35-44(36-32-38)54-48-28-16-14-26-46(48)50(40-19-7-2-8-20-40)52(54)42-23-11-4-12-24-42/h1-38H;1-36H
InChIKeyYVKLAYPSSKNJJL-UHFFFAOYSA-N
MW1451.83 g/mol
LogP29.61
Rot. Bonds13

About 1-[12-(2,3-diphenylindol-1-yl)chrysen-6-yl]-2,3-diphenylindole;1-[4-[4-(2,3-diphenylindol-1-yl)phenyl]phenyl]-2,3-diphenylindole

1-[12-(2,3-diphenylindol-1-yl)chrysen-6-yl]-2,3-diphenylindole;1-[4-[4-(2,3-diphenylindol-1-yl)phenyl]phenyl]-2,3-diphenylindole (PubChem CID 162026285) has the molecular formula C110H74N4 and a molecular weight of 1451.83 g/mol. Its IUPAC name is 1-[12-(2,3-diphenylindol-1-yl)chrysen-6-yl]-2,3-diphenylindole;1-[4-[4-(2,3-diphenylindol-1-yl)phenyl]phenyl]-2,3-diphenylindole.

Molecular Properties

Compound Name1-[12-(2,3-diphenylindol-1-yl)chrysen-6-yl]-2,3-diphenylindole;1-[4-[4-(2,3-diphenylindol-1-yl)phenyl]phenyl]-2,3-diphenylindole
PubChem CID162026285
Molecular FormulaC110H74N4
Molecular Weight1451.83 g/mol
Exact Mass1450.59
IUPAC Name1-[12-(2,3-diphenylindol-1-yl)chrysen-6-yl]-2,3-diphenylindole;1-[4-[4-(2,3-diphenylindol-1-yl)phenyl]phenyl]-2,3-diphenylindole
SMILESc1ccc(-c2c(-c3ccccc3)n(-c3cc4c5ccccc5c(-n5c(-c6ccccc6)c(-c6ccccc6)c6ccccc65)cc4c4ccccc34)c3ccccc23)cc1.c1ccc(-c2c(-c3ccccc3)n(-c3ccc(-c4ccc(-n5c(-c6ccccc6)c(-c6ccccc6)c6ccccc65)cc4)cc3)c3ccccc23)cc1
InChIInChI=1S/C58H38N2.C52H36N2/c1-5-21-39(22-6-1)55-47-33-17-19-35-51(47)59(57(55)41-25-9-3-10-26-41)53-37-49-44-30-14-16-32-46(44)54(38-50(49)43-29-13-15-31-45(43)53)60-52-36-20-18-34-48(52)56(40-23-7-2-8-24-40)58(60)42-27-11-4-12-28-42;1-5-17-39(18-6-1)49-45-25-13-15-27-47(45)53(51(49)41-21-9-3-10-22-41)43-33-29-37(30-34-43)38-31-35-44(36-32-38)54-48-28-16-14-26-46(48)50(40-19-7-2-8-20-40)52(54)42-23-11-4-12-24-42/h1-38H;1-36H
InChIKeyYVKLAYPSSKNJJL-UHFFFAOYSA-N
XLogP29.61
TPSA19.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms114
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001451.83
LogP ≤ 529.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[12-(2,3-diphenylindol-1-yl)chrysen-6-yl]-2,3-diphenylindole;1-[4-[4-(2,3-diphenylindol-1-yl)phenyl]phenyl]-2,3-diphenylindole with MolForge

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Related Compounds

3-[1,2-bis[4-(4-phenylphenyl)phenyl]indol-3-yl]-1,2-diphenylindole
CID 129085579
9-[4-[4-[1-[4-(4-carbazol-9-ylphenyl)phenyl]-2,3,6,7-tetraphenylpyrrolo[3,2-g]indol-8-yl]phenyl]phenyl]carbazole
CID 155097260
[4-(2,3-diphenylindol-1-yl)phenyl]boronic acid
CID 68817582
1,2,3-triphenyl-10-(7-phenyltriphenylen-2-yl)pyrrolo[2,3-a]carbazole
CID 118315810
1-(3,5-diphenylphenyl)-2,3,5-triphenylindole
CID 126620765
9-[4-(4-carbazol-9-ylnaphthalen-1-yl)naphthalen-1-yl]carbazole;9-[4-[4-(4-carbazol-9-ylnaphthalen-1-yl)naphthalen-1-yl]naphthalen-1-yl]carbazole;9-[4-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]carbazole;9-[4-[4-(4-carbazol-9-ylphenyl)-2,3,5,6-tetraphenylphenyl]phenyl]carbazole
CID 159108089
4-phenyl-N,N-bis[4-(1,2,3-triphenylindol-5-yl)phenyl]aniline
CID 58161105
3-(2,3-diphenylindol-1-yl)-5-triphenylen-2-ylbenzonitrile
CID 88924744
9-[4-[10-(4-carbazol-9-ylphenyl)-2-[4-(10-phenylanthracen-9-yl)phenyl]anthracen-9-yl]phenyl]carbazole
CID 58963473
5-(4-phenylphenyl)-11-triphenylen-2-ylindolo[3,2-b]carbazole
CID 147253407
9-phenyl-N,N-bis[4-(1,2,3-triphenylindol-5-yl)phenyl]carbazol-3-amine
CID 58161015
1-(2,4-dichlorophenyl)-2,3-diphenylindole
CID 154721682

Frequently Asked Questions

What is the IUPAC name of 1-[12-(2,3-diphenylindol-1-yl)chrysen-6-yl]-2,3-diphenylindole;1-[4-[4-(2,3-diphenylindol-1-yl)phenyl]phenyl]-2,3-diphenylindole?
The IUPAC name of 1-[12-(2,3-diphenylindol-1-yl)chrysen-6-yl]-2,3-diphenylindole;1-[4-[4-(2,3-diphenylindol-1-yl)phenyl]phenyl]-2,3-diphenylindole (CID 162026285) is 1-[12-(2,3-diphenylindol-1-yl)chrysen-6-yl]-2,3-diphenylindole;1-[4-[4-(2,3-diphenylindol-1-yl)phenyl]phenyl]-2,3-diphenylindole.
What is the SMILES notation for 1-[12-(2,3-diphenylindol-1-yl)chrysen-6-yl]-2,3-diphenylindole;1-[4-[4-(2,3-diphenylindol-1-yl)phenyl]phenyl]-2,3-diphenylindole?
The canonical SMILES for 1-[12-(2,3-diphenylindol-1-yl)chrysen-6-yl]-2,3-diphenylindole;1-[4-[4-(2,3-diphenylindol-1-yl)phenyl]phenyl]-2,3-diphenylindole is c1ccc(-c2c(-c3ccccc3)n(-c3cc4c5ccccc5c(-n5c(-c6ccccc6)c(-c6ccccc6)c6ccccc65)cc4c4ccccc34)c3ccccc23)cc1.c1ccc(-c2c(-c3ccccc3)n(-c3ccc(-c4ccc(-n5c(-c6ccccc6)c(-c6ccccc6)c6ccccc65)cc4)cc3)c3ccccc23)cc1.
What is the InChIKey of 1-[12-(2,3-diphenylindol-1-yl)chrysen-6-yl]-2,3-diphenylindole;1-[4-[4-(2,3-diphenylindol-1-yl)phenyl]phenyl]-2,3-diphenylindole?
The InChIKey is YVKLAYPSSKNJJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H38N2.C52H36N2/c1-5-21-39(22-6-1)55-47-33-17-19-35-51(47)59(57(55)41-25-9-3-10-26-41)53-37-49-44-30-14-16-32-46(44)54(38-50(49)43-29-13-15-31-45(43)53)60-52-36-20-18-34-48(52)56(40-23-7-2-8-24-40)58(60)42-27-11-4-12-28-42;1-5-17-39(18-6-1)49-45-25-13-15-27-47(45)53(51(49)41-21-9-3-10-22-41)43-33-29-37(30-34-43)38-31-35-44(36-32-38)54-48-28-16-14-26-46(48)50(40-19-7-2-8-20-40)52(54)42-23-11-4-12-24-42/h1-38H;1-36H.
What are the key properties of 1-[12-(2,3-diphenylindol-1-yl)chrysen-6-yl]-2,3-diphenylindole;1-[4-[4-(2,3-diphenylindol-1-yl)phenyl]phenyl]-2,3-diphenylindole?
1-[12-(2,3-diphenylindol-1-yl)chrysen-6-yl]-2,3-diphenylindole;1-[4-[4-(2,3-diphenylindol-1-yl)phenyl]phenyl]-2,3-diphenylindole has a molecular weight of 1451.83 g/mol, XLogP of 29.61, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[12-(2,3-diphenylindol-1-yl)chrysen-6-yl]-2,3-diphenylindole;1-[4-[4-(2,3-diphenylindol-1-yl)phenyl]phenyl]-2,3-diphenylindole is sourced from PubChem (CID 162026285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).