1-(9,9-dimethylfluoren-2-yl)-6-(1,2-diphenylindol-6-yl)-2-phenylindole

C49H36N2 — CID 71229871

IUPAC1-(9,9-dimethylfluoren-2-yl)-6-(1,2-diphenylindol-6-yl)-2-phenylindole
SMILESCC1(C)c2ccccc2-c2ccc(-n3c(-c4ccccc4)cc4ccc(-c5ccc6cc(-c7ccccc7)n(-c7ccccc7)c6c5)cc43)cc21
InChIInChI=1S/C49H36N2/c1-49(2)43-21-13-12-20-41(43)42-27-26-40(32-44(42)49)51-46(34-16-8-4-9-17-34)31-38-25-23-36(29-48(38)51)35-22-24-37-30-45(33-14-6-3-7-15-33)50(47(37)28-35)39-18-10-5-11-19-39/h3-32H,1-2H3
InChIKeyKYZJXACKGSYUQB-UHFFFAOYSA-N
MW652.84 g/mol
LogP12.88
Rot. Bonds5

About 1-(9,9-dimethylfluoren-2-yl)-6-(1,2-diphenylindol-6-yl)-2-phenylindole

1-(9,9-dimethylfluoren-2-yl)-6-(1,2-diphenylindol-6-yl)-2-phenylindole (PubChem CID 71229871) has the molecular formula C49H36N2 and a molecular weight of 652.84 g/mol. Its IUPAC name is 1-(9,9-dimethylfluoren-2-yl)-6-(1,2-diphenylindol-6-yl)-2-phenylindole.

Molecular Properties

Compound Name1-(9,9-dimethylfluoren-2-yl)-6-(1,2-diphenylindol-6-yl)-2-phenylindole
PubChem CID71229871
Molecular FormulaC49H36N2
Molecular Weight652.84 g/mol
Exact Mass652.29
IUPAC Name1-(9,9-dimethylfluoren-2-yl)-6-(1,2-diphenylindol-6-yl)-2-phenylindole
SMILESCC1(C)c2ccccc2-c2ccc(-n3c(-c4ccccc4)cc4ccc(-c5ccc6cc(-c7ccccc7)n(-c7ccccc7)c6c5)cc43)cc21
InChIInChI=1S/C49H36N2/c1-49(2)43-21-13-12-20-41(43)42-27-26-40(32-44(42)49)51-46(34-16-8-4-9-17-34)31-38-25-23-36(29-48(38)51)35-22-24-37-30-45(33-14-6-3-7-15-33)50(47(37)28-35)39-18-10-5-11-19-39/h3-32H,1-2H3
InChIKeyKYZJXACKGSYUQB-UHFFFAOYSA-N
XLogP12.88
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500652.84
LogP ≤ 512.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(9,9-dimethylfluoren-2-yl)-6-(1,2-diphenylindol-6-yl)-2-phenylindole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,5-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-2,6-bis(4-methylphenyl)pyrrolo[2,3-f]indole;1,5-di(anthracen-2-yl)-2,6-bis(4-methylphenyl)pyrrolo[2,3-f]indole
CID 159771384
3-(9,9-dimethylfluoren-2-yl)-15-phenyl-10-(4-phenylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene
CID 123512270
3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 163801693
3-[4-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]phenyl]-9-(6-phenylnaphthalen-2-yl)carbazole;3-[4-[9-(6-phenylnaphthalen-2-yl)carbazol-3-yl]phenyl]-9-(3-phenylphenyl)carbazole
CID 160879378
9,14-bis(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(9,9-dimethylfluoren-2-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-phenyl-14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 162005580
3,6-bis[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 59306698
5-(9,9-dimethylfluoren-2-yl)-7-[3-(4-phenylphenyl)phenyl]indolo[2,3-b]carbazole
CID 122595609
3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-(9-naphthalen-2-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-[9-(4-phenylphenyl)carbazol-3-yl]-9-triphenylen-2-ylcarbazole
CID 159796041
9-[7-(9,9-dimethylfluoren-2-yl)phenanthren-2-yl]carbazole
CID 118595114
9-(9,9-dimethyl-7-phenylfluoren-2-yl)-3,6-diphenylcarbazole
CID 118475086
3-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-5-naphthalen-1-ylphenyl]-9-(4-phenylphenyl)carbazole;3-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-5-phenylphenyl]-9-(4-phenylphenyl)carbazole;9-phenyl-3-[3-phenyl-5-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 158437914
6-(9,9-dimethylfluoren-2-yl)-2-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-naphthalen-2-yl-2-(9-phenylcarbazol-3-yl)-6-triphenylen-2-ylcarbazole;6-phenanthren-9-yl-2-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 161421085

Frequently Asked Questions

What is the IUPAC name of 1-(9,9-dimethylfluoren-2-yl)-6-(1,2-diphenylindol-6-yl)-2-phenylindole?
The IUPAC name of 1-(9,9-dimethylfluoren-2-yl)-6-(1,2-diphenylindol-6-yl)-2-phenylindole (CID 71229871) is 1-(9,9-dimethylfluoren-2-yl)-6-(1,2-diphenylindol-6-yl)-2-phenylindole.
What is the SMILES notation for 1-(9,9-dimethylfluoren-2-yl)-6-(1,2-diphenylindol-6-yl)-2-phenylindole?
The canonical SMILES for 1-(9,9-dimethylfluoren-2-yl)-6-(1,2-diphenylindol-6-yl)-2-phenylindole is CC1(C)c2ccccc2-c2ccc(-n3c(-c4ccccc4)cc4ccc(-c5ccc6cc(-c7ccccc7)n(-c7ccccc7)c6c5)cc43)cc21.
What is the InChIKey of 1-(9,9-dimethylfluoren-2-yl)-6-(1,2-diphenylindol-6-yl)-2-phenylindole?
The InChIKey is KYZJXACKGSYUQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H36N2/c1-49(2)43-21-13-12-20-41(43)42-27-26-40(32-44(42)49)51-46(34-16-8-4-9-17-34)31-38-25-23-36(29-48(38)51)35-22-24-37-30-45(33-14-6-3-7-15-33)50(47(37)28-35)39-18-10-5-11-19-39/h3-32H,1-2H3.
What are the key properties of 1-(9,9-dimethylfluoren-2-yl)-6-(1,2-diphenylindol-6-yl)-2-phenylindole?
1-(9,9-dimethylfluoren-2-yl)-6-(1,2-diphenylindol-6-yl)-2-phenylindole has a molecular weight of 652.84 g/mol, XLogP of 12.88, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9,9-dimethylfluoren-2-yl)-6-(1,2-diphenylindol-6-yl)-2-phenylindole is sourced from PubChem (CID 71229871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).