1-[9,10-di(phenanthren-9-yl)-6-(2,2,3,3-tetramethyl-5,6-dihydroindol-1-yl)-7,8-dihydroanthracen-2-yl]-2,2,3,3-tetramethylindole

C66H60N2 — CID 174372522

IUPAC1-[9,10-di(phenanthren-9-yl)-6-(2,2,3,3-tetramethyl-5,6-dihydroindol-1-yl)-7,8-dihydroanthracen-2-yl]-2,2,3,3-tetramethylindole
SMILESCC1(C)C2=CCCC=C2N(C2=Cc3c(c(-c4cc5ccccc5c5ccccc45)c4cc(N5c6ccccc6C(C)(C)C5(C)C)ccc4c3-c3cc4ccccc4c4ccccc34)CC2)C1(C)C
InChIInChI=1S/C66H60N2/c1-63(2)57-29-17-19-31-59(57)67(65(63,5)6)43-33-35-51-55(39-43)61(53-37-41-21-9-11-23-45(41)47-25-13-15-27-49(47)53)52-36-34-44(68-60-32-20-18-30-58(60)64(3,4)66(68,7)8)40-56(52)62(51)54-38-42-22-10-12-24-46(42)48-26-14-16-28-50(48)54/h9-17,19,21-33,35,37-40H,18,20,34,36H2,1-8H3
InChIKeyXWZUEDMEJQBZRO-UHFFFAOYSA-N
MW881.22 g/mol
LogP18.01
Rot. Bonds4

About 1-[9,10-di(phenanthren-9-yl)-6-(2,2,3,3-tetramethyl-5,6-dihydroindol-1-yl)-7,8-dihydroanthracen-2-yl]-2,2,3,3-tetramethylindole

1-[9,10-di(phenanthren-9-yl)-6-(2,2,3,3-tetramethyl-5,6-dihydroindol-1-yl)-7,8-dihydroanthracen-2-yl]-2,2,3,3-tetramethylindole (PubChem CID 174372522) has the molecular formula C66H60N2 and a molecular weight of 881.22 g/mol. Its IUPAC name is 1-[9,10-di(phenanthren-9-yl)-6-(2,2,3,3-tetramethyl-5,6-dihydroindol-1-yl)-7,8-dihydroanthracen-2-yl]-2,2,3,3-tetramethylindole.

Molecular Properties

Compound Name1-[9,10-di(phenanthren-9-yl)-6-(2,2,3,3-tetramethyl-5,6-dihydroindol-1-yl)-7,8-dihydroanthracen-2-yl]-2,2,3,3-tetramethylindole
PubChem CID174372522
Molecular FormulaC66H60N2
Molecular Weight881.22 g/mol
Exact Mass880.48
IUPAC Name1-[9,10-di(phenanthren-9-yl)-6-(2,2,3,3-tetramethyl-5,6-dihydroindol-1-yl)-7,8-dihydroanthracen-2-yl]-2,2,3,3-tetramethylindole
SMILESCC1(C)C2=CCCC=C2N(C2=Cc3c(c(-c4cc5ccccc5c5ccccc45)c4cc(N5c6ccccc6C(C)(C)C5(C)C)ccc4c3-c3cc4ccccc4c4ccccc34)CC2)C1(C)C
InChIInChI=1S/C66H60N2/c1-63(2)57-29-17-19-31-59(57)67(65(63,5)6)43-33-35-51-55(39-43)61(53-37-41-21-9-11-23-45(41)47-25-13-15-27-49(47)53)52-36-34-44(68-60-32-20-18-30-58(60)64(3,4)66(68,7)8)40-56(52)62(51)54-38-42-22-10-12-24-46(42)48-26-14-16-28-50(48)54/h9-17,19,21-33,35,37-40H,18,20,34,36H2,1-8H3
InChIKeyXWZUEDMEJQBZRO-UHFFFAOYSA-N
XLogP18.01
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500881.22
LogP ≤ 518.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[9,10-di(phenanthren-9-yl)-6-(2,2,3,3-tetramethyl-5,6-dihydroindol-1-yl)-7,8-dihydroanthracen-2-yl]-2,2,3,3-tetramethylindole with MolForge

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Related Compounds

1-[9,10-bis(2-methylphenyl)-6-(2,2,3,3-tetramethylindol-1-yl)anthracen-2-yl]-2,2,3,3-tetramethylindole
CID 140914152
1-[9,10-dipyridin-2-yl-6-(2,2,3,3-tetramethylindol-1-yl)anthracen-2-yl]-2,2,3,3-tetramethylindole
CID 140914156
9-[6-carbazol-9-yl-9,10-di(phenanthren-9-yl)anthracen-2-yl]carbazole
CID 59220270
5-[9,10-di(phenanthren-9-yl)-6-(10H-phenazin-5-yl)anthracen-2-yl]-10-methylphenazine
CID 89111240
9-(6-carbazol-9-yl-9-naphthalen-1-yl-10-phenanthren-9-ylanthracen-2-yl)carbazole
CID 59220010
11-[6-benzo[b][1]benzazepin-11-yl-9,10-di(phenanthren-9-yl)anthracen-2-yl]benzo[b][1]benzazepine
CID 59220256
10-[6-(1,2-dihydrophenothiazin-10-yl)-10-(9,9-dimethylfluoren-2-yl)-9-phenanthren-9-ylanthracen-2-yl]phenothiazine
CID 89111189
2-[10-(9,9-dimethylfluoren-3-yl)-3-naphthalen-2-ylanthracen-9-yl]-11-methyl-5,6-dihydrobenzo[b][1]benzazepine
CID 59196377
3-pyridin-3-yl-9-[4-[4-[4-(2,2,3,3-tetramethylindol-1-yl)phenyl]phenyl]phenyl]carbazole
CID 90215679
10-[6-(9,9-dimethylacridin-10-yl)-9-naphthalen-1-yl-10-(3-naphthalen-1-ylphenyl)anthracen-2-yl]-9,9-dimethylacridine
CID 59219699
1-(9,9-dimethyl-6-pentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaenyl)-2-(trifluoromethyl)-2,3-dihydroindole
CID 118671690
9-phenanthren-9-yl-3-[4-[7'-[4-(9-phenanthren-9-ylcarbazol-3-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]carbazole
CID 59236178

Frequently Asked Questions

What is the IUPAC name of 1-[9,10-di(phenanthren-9-yl)-6-(2,2,3,3-tetramethyl-5,6-dihydroindol-1-yl)-7,8-dihydroanthracen-2-yl]-2,2,3,3-tetramethylindole?
The IUPAC name of 1-[9,10-di(phenanthren-9-yl)-6-(2,2,3,3-tetramethyl-5,6-dihydroindol-1-yl)-7,8-dihydroanthracen-2-yl]-2,2,3,3-tetramethylindole (CID 174372522) is 1-[9,10-di(phenanthren-9-yl)-6-(2,2,3,3-tetramethyl-5,6-dihydroindol-1-yl)-7,8-dihydroanthracen-2-yl]-2,2,3,3-tetramethylindole.
What is the SMILES notation for 1-[9,10-di(phenanthren-9-yl)-6-(2,2,3,3-tetramethyl-5,6-dihydroindol-1-yl)-7,8-dihydroanthracen-2-yl]-2,2,3,3-tetramethylindole?
The canonical SMILES for 1-[9,10-di(phenanthren-9-yl)-6-(2,2,3,3-tetramethyl-5,6-dihydroindol-1-yl)-7,8-dihydroanthracen-2-yl]-2,2,3,3-tetramethylindole is CC1(C)C2=CCCC=C2N(C2=Cc3c(c(-c4cc5ccccc5c5ccccc45)c4cc(N5c6ccccc6C(C)(C)C5(C)C)ccc4c3-c3cc4ccccc4c4ccccc34)CC2)C1(C)C.
What is the InChIKey of 1-[9,10-di(phenanthren-9-yl)-6-(2,2,3,3-tetramethyl-5,6-dihydroindol-1-yl)-7,8-dihydroanthracen-2-yl]-2,2,3,3-tetramethylindole?
The InChIKey is XWZUEDMEJQBZRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H60N2/c1-63(2)57-29-17-19-31-59(57)67(65(63,5)6)43-33-35-51-55(39-43)61(53-37-41-21-9-11-23-45(41)47-25-13-15-27-49(47)53)52-36-34-44(68-60-32-20-18-30-58(60)64(3,4)66(68,7)8)40-56(52)62(51)54-38-42-22-10-12-24-46(42)48-26-14-16-28-50(48)54/h9-17,19,21-33,35,37-40H,18,20,34,36H2,1-8H3.
What are the key properties of 1-[9,10-di(phenanthren-9-yl)-6-(2,2,3,3-tetramethyl-5,6-dihydroindol-1-yl)-7,8-dihydroanthracen-2-yl]-2,2,3,3-tetramethylindole?
1-[9,10-di(phenanthren-9-yl)-6-(2,2,3,3-tetramethyl-5,6-dihydroindol-1-yl)-7,8-dihydroanthracen-2-yl]-2,2,3,3-tetramethylindole has a molecular weight of 881.22 g/mol, XLogP of 18.01, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[9,10-di(phenanthren-9-yl)-6-(2,2,3,3-tetramethyl-5,6-dihydroindol-1-yl)-7,8-dihydroanthracen-2-yl]-2,2,3,3-tetramethylindole is sourced from PubChem (CID 174372522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).