8-[4-(9,9-dimethylacridin-10-yl)phenyl]-10,10-dimethyl-5-(4-phenylphenyl)indeno[1,2-b]indole

C50H40N2 — CID 121274988

IUPAC8-[4-(9,9-dimethylacridin-10-yl)phenyl]-10,10-dimethyl-5-(4-phenylphenyl)indeno[1,2-b]indole
SMILESCC1(C)c2ccccc2N(c2ccc(-c3ccc4c(c3)c3c(n4-c4ccc(-c5ccccc5)cc4)-c4ccccc4C3(C)C)cc2)c2ccccc21
InChIInChI=1S/C50H40N2/c1-49(2)42-18-10-12-20-45(42)51(46-21-13-11-19-43(46)49)37-27-24-35(25-28-37)36-26-31-44-40(32-36)47-48(39-16-8-9-17-41(39)50(47,3)4)52(44)38-29-22-34(23-30-38)33-14-6-5-7-15-33/h5-32H,1-4H3
InChIKeyAASYJYMEIYNEPG-UHFFFAOYSA-N
MW668.88 g/mol
LogP13.38
Rot. Bonds4

About 8-[4-(9,9-dimethylacridin-10-yl)phenyl]-10,10-dimethyl-5-(4-phenylphenyl)indeno[1,2-b]indole

8-[4-(9,9-dimethylacridin-10-yl)phenyl]-10,10-dimethyl-5-(4-phenylphenyl)indeno[1,2-b]indole (PubChem CID 121274988) has the molecular formula C50H40N2 and a molecular weight of 668.88 g/mol. Its IUPAC name is 8-[4-(9,9-dimethylacridin-10-yl)phenyl]-10,10-dimethyl-5-(4-phenylphenyl)indeno[1,2-b]indole.

Molecular Properties

Compound Name8-[4-(9,9-dimethylacridin-10-yl)phenyl]-10,10-dimethyl-5-(4-phenylphenyl)indeno[1,2-b]indole
PubChem CID121274988
Molecular FormulaC50H40N2
Molecular Weight668.88 g/mol
Exact Mass668.32
IUPAC Name8-[4-(9,9-dimethylacridin-10-yl)phenyl]-10,10-dimethyl-5-(4-phenylphenyl)indeno[1,2-b]indole
SMILESCC1(C)c2ccccc2N(c2ccc(-c3ccc4c(c3)c3c(n4-c4ccc(-c5ccccc5)cc4)-c4ccccc4C3(C)C)cc2)c2ccccc21
InChIInChI=1S/C50H40N2/c1-49(2)42-18-10-12-20-45(42)51(46-21-13-11-19-43(46)49)37-27-24-35(25-28-37)36-26-31-44-40(32-36)47-48(39-16-8-9-17-41(39)50(47,3)4)52(44)38-29-22-34(23-30-38)33-14-6-5-7-15-33/h5-32H,1-4H3
InChIKeyAASYJYMEIYNEPG-UHFFFAOYSA-N
XLogP13.38
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500668.88
LogP ≤ 513.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 8-[4-(9,9-dimethylacridin-10-yl)phenyl]-10,10-dimethyl-5-(4-phenylphenyl)indeno[1,2-b]indole 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

8-(10,10-dimethyl-5-phenylindeno[1,2-b]indol-8-yl)-10,10-dimethyl-5-phenylindeno[1,2-b]indole
CID 121275073
8-(4-carbazol-9-ylphenyl)-10,10-dimethyl-5-phenylindeno[1,2-b]indole
CID 121274991
10-(10,10-dimethyl-5-phenylindeno[1,2-b]indol-8-yl)phenothiazine
CID 121275039
10-[4-(3-carbazol-9-ylphenyl)phenyl]-9,9-dimethylacridine
CID 169006724
3-[9-(9,9-dimethylfluoren-1-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(9,9-dimethylfluoren-1-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 163519733
10,10-dimethyl-3-[3-[9-phenyl-6-(10-phenylphenazin-5-yl)carbazol-3-yl]phenyl]anthracen-9-one
CID 142288659
10-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylacridine
CID 155244755
7,7-dimethyl-5-(4-phenylphenyl)-2-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]indeno[2,1-b]carbazole
CID 89472227
5-(9,9-dimethyl-10-phenylacridin-2-yl)-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene
CID 67326458
10,10-dimethyl-3-[4-[10-phenyl-2-(9-phenylcarbazol-3-yl)-8-(3-phenylphenyl)phenazin-5-yl]phenyl]anthracen-9-one
CID 142287992
8,8,14,14-tetramethyl-5,17-diphenyl-11-[9-phenyl-6-[4-(8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]carbazol-3-yl]-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene
CID 90330383
9,9-dimethyl-10-[4-(9-methylcarbazol-3-yl)phenyl]acridine
CID 130353436

Frequently Asked Questions

What is the IUPAC name of 8-[4-(9,9-dimethylacridin-10-yl)phenyl]-10,10-dimethyl-5-(4-phenylphenyl)indeno[1,2-b]indole?
The IUPAC name of 8-[4-(9,9-dimethylacridin-10-yl)phenyl]-10,10-dimethyl-5-(4-phenylphenyl)indeno[1,2-b]indole (CID 121274988) is 8-[4-(9,9-dimethylacridin-10-yl)phenyl]-10,10-dimethyl-5-(4-phenylphenyl)indeno[1,2-b]indole.
What is the SMILES notation for 8-[4-(9,9-dimethylacridin-10-yl)phenyl]-10,10-dimethyl-5-(4-phenylphenyl)indeno[1,2-b]indole?
The canonical SMILES for 8-[4-(9,9-dimethylacridin-10-yl)phenyl]-10,10-dimethyl-5-(4-phenylphenyl)indeno[1,2-b]indole is CC1(C)c2ccccc2N(c2ccc(-c3ccc4c(c3)c3c(n4-c4ccc(-c5ccccc5)cc4)-c4ccccc4C3(C)C)cc2)c2ccccc21.
What is the InChIKey of 8-[4-(9,9-dimethylacridin-10-yl)phenyl]-10,10-dimethyl-5-(4-phenylphenyl)indeno[1,2-b]indole?
The InChIKey is AASYJYMEIYNEPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H40N2/c1-49(2)42-18-10-12-20-45(42)51(46-21-13-11-19-43(46)49)37-27-24-35(25-28-37)36-26-31-44-40(32-36)47-48(39-16-8-9-17-41(39)50(47,3)4)52(44)38-29-22-34(23-30-38)33-14-6-5-7-15-33/h5-32H,1-4H3.
What are the key properties of 8-[4-(9,9-dimethylacridin-10-yl)phenyl]-10,10-dimethyl-5-(4-phenylphenyl)indeno[1,2-b]indole?
8-[4-(9,9-dimethylacridin-10-yl)phenyl]-10,10-dimethyl-5-(4-phenylphenyl)indeno[1,2-b]indole has a molecular weight of 668.88 g/mol, XLogP of 13.38, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(9,9-dimethylacridin-10-yl)phenyl]-10,10-dimethyl-5-(4-phenylphenyl)indeno[1,2-b]indole is sourced from PubChem (CID 121274988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).