8-(10,10-dimethyl-5-phenylindeno[1,2-b]indol-8-yl)-10,10-dimethyl-5-phenylindeno[1,2-b]indole

C46H36N2 — CID 121275073

IUPAC8-(10,10-dimethyl-5-phenylindeno[1,2-b]indol-8-yl)-10,10-dimethyl-5-phenylindeno[1,2-b]indole
SMILESCC1(C)c2ccccc2-c2c1c1cc(-c3ccc4c(c3)c3c(n4-c4ccccc4)-c4ccccc4C3(C)C)ccc1n2-c1ccccc1
InChIInChI=1S/C46H36N2/c1-45(2)37-21-13-11-19-33(37)43-41(45)35-27-29(23-25-39(35)47(43)31-15-7-5-8-16-31)30-24-26-40-36(28-30)42-44(48(40)32-17-9-6-10-18-32)34-20-12-14-22-38(34)46(42,3)4/h5-28H,1-4H3
InChIKeyMUDGFASXSSROIW-UHFFFAOYSA-N
MW616.81 g/mol
LogP11.85
Rot. Bonds3

About 8-(10,10-dimethyl-5-phenylindeno[1,2-b]indol-8-yl)-10,10-dimethyl-5-phenylindeno[1,2-b]indole

8-(10,10-dimethyl-5-phenylindeno[1,2-b]indol-8-yl)-10,10-dimethyl-5-phenylindeno[1,2-b]indole (PubChem CID 121275073) has the molecular formula C46H36N2 and a molecular weight of 616.81 g/mol. Its IUPAC name is 8-(10,10-dimethyl-5-phenylindeno[1,2-b]indol-8-yl)-10,10-dimethyl-5-phenylindeno[1,2-b]indole.

Molecular Properties

Compound Name8-(10,10-dimethyl-5-phenylindeno[1,2-b]indol-8-yl)-10,10-dimethyl-5-phenylindeno[1,2-b]indole
PubChem CID121275073
Molecular FormulaC46H36N2
Molecular Weight616.81 g/mol
Exact Mass616.29
IUPAC Name8-(10,10-dimethyl-5-phenylindeno[1,2-b]indol-8-yl)-10,10-dimethyl-5-phenylindeno[1,2-b]indole
SMILESCC1(C)c2ccccc2-c2c1c1cc(-c3ccc4c(c3)c3c(n4-c4ccccc4)-c4ccccc4C3(C)C)ccc1n2-c1ccccc1
InChIInChI=1S/C46H36N2/c1-45(2)37-21-13-11-19-33(37)43-41(45)35-27-29(23-25-39(35)47(43)31-15-7-5-8-16-31)30-24-26-40-36(28-30)42-44(48(40)32-17-9-6-10-18-32)34-20-12-14-22-38(34)46(42,3)4/h5-28H,1-4H3
InChIKeyMUDGFASXSSROIW-UHFFFAOYSA-N
XLogP11.85
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.81
LogP ≤ 511.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

8-(4-carbazol-9-ylphenyl)-10,10-dimethyl-5-phenylindeno[1,2-b]indole
CID 121274991
8-[4-(9,9-dimethylacridin-10-yl)phenyl]-10,10-dimethyl-5-(4-phenylphenyl)indeno[1,2-b]indole
CID 121274988
10-(4,6-diphenyl-1,3,5-triazin-2-yl)-22,22-dimethyl-14-phenyl-6-(9-phenylcarbazol-3-yl)-10,14-diazahexacyclo[11.10.0.03,11.04,9.015,23.016,21]tricosa-1(13),2,4(9),5,7,11,15(23),16,18,20-decaene
CID 90270443
10,10-dimethyl-5-(4-methylphenyl)indeno[1,2-b]indole
CID 144549130
10-(10,10-dimethyl-5-phenylindeno[1,2-b]indol-8-yl)phenothiazine
CID 121275039
12,12-dimethyl-8,11-diphenylindeno[2,1-a]carbazole
CID 121287062
3-[14,23-bis(6,9-diphenylcarbazol-3-yl)-9,9,18,18,27,27-hexamethyl-5-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaenyl]-6,9-diphenylcarbazole
CID 126608481
N-[4-(10,10-dimethyl-5-phenylindeno[1,2-b]indol-8-yl)phenyl]-9,9-dimethyl-N-phenyl-2,3-dihydrofluoren-2-amine
CID 137397140
11,11-dimethyl-3,7-diphenyl-3-azapentacyclo[10.8.0.02,10.04,9.013,18]icosa-1(12),2(10),4(9),5,7,13,15,17,19-nonaene
CID 144609145
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
22,22-dimethyl-14-phenyl-5-(9-phenylcarbazol-3-yl)-9-(4-phenylquinazolin-2-yl)-9,14-diazahexacyclo[11.10.0.02,10.03,8.015,23.016,21]tricosa-1(13),2(10),3(8),4,6,11,15(23),16,18,20-decaene
CID 90270374
6-dibenzothiophen-4-yl-10-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-15,15-dimethyl-23-phenyl-10,23-diazahexacyclo[11.10.0.03,11.04,9.014,22.016,21]tricosa-1(13),2,4(9),5,7,11,14(22),16,18,20-decaene
CID 90270315

Frequently Asked Questions

What is the IUPAC name of 8-(10,10-dimethyl-5-phenylindeno[1,2-b]indol-8-yl)-10,10-dimethyl-5-phenylindeno[1,2-b]indole?
The IUPAC name of 8-(10,10-dimethyl-5-phenylindeno[1,2-b]indol-8-yl)-10,10-dimethyl-5-phenylindeno[1,2-b]indole (CID 121275073) is 8-(10,10-dimethyl-5-phenylindeno[1,2-b]indol-8-yl)-10,10-dimethyl-5-phenylindeno[1,2-b]indole.
What is the SMILES notation for 8-(10,10-dimethyl-5-phenylindeno[1,2-b]indol-8-yl)-10,10-dimethyl-5-phenylindeno[1,2-b]indole?
The canonical SMILES for 8-(10,10-dimethyl-5-phenylindeno[1,2-b]indol-8-yl)-10,10-dimethyl-5-phenylindeno[1,2-b]indole is CC1(C)c2ccccc2-c2c1c1cc(-c3ccc4c(c3)c3c(n4-c4ccccc4)-c4ccccc4C3(C)C)ccc1n2-c1ccccc1.
What is the InChIKey of 8-(10,10-dimethyl-5-phenylindeno[1,2-b]indol-8-yl)-10,10-dimethyl-5-phenylindeno[1,2-b]indole?
The InChIKey is MUDGFASXSSROIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H36N2/c1-45(2)37-21-13-11-19-33(37)43-41(45)35-27-29(23-25-39(35)47(43)31-15-7-5-8-16-31)30-24-26-40-36(28-30)42-44(48(40)32-17-9-6-10-18-32)34-20-12-14-22-38(34)46(42,3)4/h5-28H,1-4H3.
What are the key properties of 8-(10,10-dimethyl-5-phenylindeno[1,2-b]indol-8-yl)-10,10-dimethyl-5-phenylindeno[1,2-b]indole?
8-(10,10-dimethyl-5-phenylindeno[1,2-b]indol-8-yl)-10,10-dimethyl-5-phenylindeno[1,2-b]indole has a molecular weight of 616.81 g/mol, XLogP of 11.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(10,10-dimethyl-5-phenylindeno[1,2-b]indol-8-yl)-10,10-dimethyl-5-phenylindeno[1,2-b]indole is sourced from PubChem (CID 121275073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).