8,10,10-trimethyl-2-(10-phenylanthracen-9-yl)-5H-indeno[1,2-b]indole

C38H29N — CID 118312979

IUPAC8,10,10-trimethyl-2-(10-phenylanthracen-9-yl)-5H-indeno[1,2-b]indole
SMILESCc1ccc2[nH]c3c(c2c1)C(C)(C)c1cc(-c2c4ccccc4c(-c4ccccc4)c4ccccc24)ccc1-3
InChIInChI=1S/C38H29N/c1-23-17-20-33-31(21-23)36-37(39-33)30-19-18-25(22-32(30)38(36,2)3)35-28-15-9-7-13-26(28)34(24-11-5-4-6-12-24)27-14-8-10-16-29(27)35/h4-22,39H,1-3H3
InChIKeyWPGNGENQMMRDBT-UHFFFAOYSA-N
MW499.66 g/mol
LogP10.42
Rot. Bonds2

About 8,10,10-trimethyl-2-(10-phenylanthracen-9-yl)-5H-indeno[1,2-b]indole

8,10,10-trimethyl-2-(10-phenylanthracen-9-yl)-5H-indeno[1,2-b]indole (PubChem CID 118312979) has the molecular formula C38H29N and a molecular weight of 499.66 g/mol. Its IUPAC name is 8,10,10-trimethyl-2-(10-phenylanthracen-9-yl)-5H-indeno[1,2-b]indole.

Molecular Properties

Compound Name8,10,10-trimethyl-2-(10-phenylanthracen-9-yl)-5H-indeno[1,2-b]indole
PubChem CID118312979
Molecular FormulaC38H29N
Molecular Weight499.66 g/mol
Exact Mass499.23
IUPAC Name8,10,10-trimethyl-2-(10-phenylanthracen-9-yl)-5H-indeno[1,2-b]indole
SMILESCc1ccc2[nH]c3c(c2c1)C(C)(C)c1cc(-c2c4ccccc4c(-c4ccccc4)c4ccccc24)ccc1-3
InChIInChI=1S/C38H29N/c1-23-17-20-33-31(21-23)36-37(39-33)30-19-18-25(22-32(30)38(36,2)3)35-28-15-9-7-13-26(28)34(24-11-5-4-6-12-24)27-14-8-10-16-29(27)35/h4-22,39H,1-3H3
InChIKeyWPGNGENQMMRDBT-UHFFFAOYSA-N
XLogP10.42
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.66
LogP ≤ 510.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

10,10-dimethyl-8-phenyl-5H-indeno[1,2-b]indole
CID 144827773
3,3,24,24-tetramethyl-6,21-bis[4-(10-phenylanthracen-9-yl)phenyl]hexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaene
CID 59181616
9-[4-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]naphthalen-1-yl]-10-phenylanthracene
CID 58174880
9-(9,9-dimethyl-7-phenylfluoren-2-yl)-10-phenylanthracene
CID 20822329
6,9,9,15,18,18,27,35,35-nonamethyl-24,31-diphenylnonacyclo[18.15.0.02,10.03,8.011,19.012,17.021,34.023,32.025,30]pentatriaconta-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(34),22,24,26,28,30,32-hexadecaene
CID 90805748
9-(4-fluorophenyl)-10-[7-[10-(4-fluorophenyl)anthracen-9-yl]-9,9-dimethylfluoren-2-yl]anthracene
CID 20821966
9-(9,9-dimethylfluoren-2-yl)-10-[10-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-3-methylanthracen-9-yl]-2-methylanthracene
CID 58782810
9-[9,9-dimethyl-7-[10-[10-(3-phenylphenyl)anthracen-9-yl]anthracen-9-yl]fluoren-2-yl]-10-(3-phenylphenyl)anthracene
CID 20822310
9,9,21,21-tetramethyl-6,18-bis(10-phenylanthracen-9-yl)hexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene
CID 59182575
9-(9,9-dimethylfluoren-2-yl)-10-naphthalen-1-ylanthracene;9-(9,9-dimethylfluoren-2-yl)-10-phenylanthracene;9,10-diphenylanthracene
CID 159887994
9-(1-ethenyl-2,3,3-trimethylinden-5-yl)-10-phenylanthracene
CID 123359012
9-(9,9-dimethylfluoren-2-yl)-10-[2-(9,9-dimethylfluoren-2-yl)phenyl]-2-methylanthracene
CID 59195744

Frequently Asked Questions

What is the IUPAC name of 8,10,10-trimethyl-2-(10-phenylanthracen-9-yl)-5H-indeno[1,2-b]indole?
The IUPAC name of 8,10,10-trimethyl-2-(10-phenylanthracen-9-yl)-5H-indeno[1,2-b]indole (CID 118312979) is 8,10,10-trimethyl-2-(10-phenylanthracen-9-yl)-5H-indeno[1,2-b]indole.
What is the SMILES notation for 8,10,10-trimethyl-2-(10-phenylanthracen-9-yl)-5H-indeno[1,2-b]indole?
The canonical SMILES for 8,10,10-trimethyl-2-(10-phenylanthracen-9-yl)-5H-indeno[1,2-b]indole is Cc1ccc2[nH]c3c(c2c1)C(C)(C)c1cc(-c2c4ccccc4c(-c4ccccc4)c4ccccc24)ccc1-3.
What is the InChIKey of 8,10,10-trimethyl-2-(10-phenylanthracen-9-yl)-5H-indeno[1,2-b]indole?
The InChIKey is WPGNGENQMMRDBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H29N/c1-23-17-20-33-31(21-23)36-37(39-33)30-19-18-25(22-32(30)38(36,2)3)35-28-15-9-7-13-26(28)34(24-11-5-4-6-12-24)27-14-8-10-16-29(27)35/h4-22,39H,1-3H3.
What are the key properties of 8,10,10-trimethyl-2-(10-phenylanthracen-9-yl)-5H-indeno[1,2-b]indole?
8,10,10-trimethyl-2-(10-phenylanthracen-9-yl)-5H-indeno[1,2-b]indole has a molecular weight of 499.66 g/mol, XLogP of 10.42, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8,10,10-trimethyl-2-(10-phenylanthracen-9-yl)-5H-indeno[1,2-b]indole is sourced from PubChem (CID 118312979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).