12-(3a,10c-dihydrofluoranthen-3-yl)-9-cyclobutyl-7,7-dimethyl-10-(2-methylphenyl)indeno[1,2-a]carbazole

C48H39N — CID 145018303

IUPAC12-(3a,10c-dihydrofluoranthen-3-yl)-9-cyclobutyl-7,7-dimethyl-10-(2-methylphenyl)indeno[1,2-a]carbazole
SMILESCc1ccccc1-c1cc2c(cc1C1CCC1)C(C)(C)c1ccc3c4ccccc4n(C4=CC=C5c6ccccc6C6=CC=CC4C65)c3c1-2
InChIInChI=1S/C48H39N/c1-28-12-4-5-15-30(28)39-26-40-42(27-38(39)29-13-10-14-29)48(2,3)41-24-22-36-33-18-8-9-21-43(33)49(47(36)46(40)41)44-25-23-35-32-17-7-6-16-31(32)34-19-11-20-37(44)45(34)35/h4-9,11-12,15-27,29,37,45H,10,13-14H2,1-3H3
InChIKeyFUPVDKHJLQLRBI-UHFFFAOYSA-N
MW629.85 g/mol
LogP12.48
Rot. Bonds3

About 12-(3a,10c-dihydrofluoranthen-3-yl)-9-cyclobutyl-7,7-dimethyl-10-(2-methylphenyl)indeno[1,2-a]carbazole

12-(3a,10c-dihydrofluoranthen-3-yl)-9-cyclobutyl-7,7-dimethyl-10-(2-methylphenyl)indeno[1,2-a]carbazole (PubChem CID 145018303) has the molecular formula C48H39N and a molecular weight of 629.85 g/mol. Its IUPAC name is 12-(3a,10c-dihydrofluoranthen-3-yl)-9-cyclobutyl-7,7-dimethyl-10-(2-methylphenyl)indeno[1,2-a]carbazole.

Molecular Properties

Compound Name12-(3a,10c-dihydrofluoranthen-3-yl)-9-cyclobutyl-7,7-dimethyl-10-(2-methylphenyl)indeno[1,2-a]carbazole
PubChem CID145018303
Molecular FormulaC48H39N
Molecular Weight629.85 g/mol
Exact Mass629.31
IUPAC Name12-(3a,10c-dihydrofluoranthen-3-yl)-9-cyclobutyl-7,7-dimethyl-10-(2-methylphenyl)indeno[1,2-a]carbazole
SMILESCc1ccccc1-c1cc2c(cc1C1CCC1)C(C)(C)c1ccc3c4ccccc4n(C4=CC=C5c6ccccc6C6=CC=CC4C65)c3c1-2
InChIInChI=1S/C48H39N/c1-28-12-4-5-15-30(28)39-26-40-42(27-38(39)29-13-10-14-29)48(2,3)41-24-22-36-33-18-8-9-21-43(33)49(47(36)46(40)41)44-25-23-35-32-17-7-6-16-31(32)34-19-11-20-37(44)45(34)35/h4-9,11-12,15-27,29,37,45H,10,13-14H2,1-3H3
InChIKeyFUPVDKHJLQLRBI-UHFFFAOYSA-N
XLogP12.48
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500629.85
LogP ≤ 512.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-(3a,10c-dihydrofluoranthen-3-yl)-7,7-dimethyl-10-(2-methylphenyl)-11-propylindeno[2,1-b]carbazole
CID 145018207
10-(2-cyclobutylphenyl)-5-[4-(4-cyclobutylphenyl)phenyl]-7,7,9-trimethylindeno[2,1-b]carbazole
CID 145018290
18-[4-(3a,10c-dihydrofluoranthen-3-yl)phenyl]-15,15-dimethyl-5-oxa-18-azaheptacyclo[14.11.0.02,14.04,12.06,11.017,25.019,24]heptacosa-1(16),2(14),3,6,8,10,12,17(25),19,21,23,26-dodecaene
CID 118892022
7,7-dimethyl-12-triphenylen-2-ylindeno[1,2-a]carbazole
CID 90441170
3-[4-(3,5-diphenylphenyl)phenyl]-14,14-dimethyl-3-azahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1(13),2(10),4,6,8,11,15,17,19,21,23-undecaene
CID 122464854
12-[4-(9,9-dimethylfluoren-3-yl)phenyl]-7,7-dimethylindeno[1,2-a]carbazole
CID 118502376
24-[4-(3a,10c-dihydrofluoranthen-3-yl)phenyl]-15,15-dimethyl-4-oxa-24-azaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene
CID 118891806
[3-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)phenyl]-diphenyl-(9-phenylcarbazol-3-yl)silane
CID 140842712
12-[4-(4,6-diphenyl-1,3,5-triazinan-2-yl)phenyl]-7,7-dimethylindeno[1,2-a]carbazole
CID 121343632
12-dibenzofuran-3-yl-7,7-dimethylindeno[1,2-a]carbazole
CID 118502345
1-methyl-2-(2-methylphenyl)-9-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)carbazole
CID 135191733
7,7-dimethyl-12-[4-(4-phenylphenyl)-4a,8a-dihydroquinazolin-2-yl]indeno[1,2-a]carbazole
CID 126627646

Frequently Asked Questions

What is the IUPAC name of 12-(3a,10c-dihydrofluoranthen-3-yl)-9-cyclobutyl-7,7-dimethyl-10-(2-methylphenyl)indeno[1,2-a]carbazole?
The IUPAC name of 12-(3a,10c-dihydrofluoranthen-3-yl)-9-cyclobutyl-7,7-dimethyl-10-(2-methylphenyl)indeno[1,2-a]carbazole (CID 145018303) is 12-(3a,10c-dihydrofluoranthen-3-yl)-9-cyclobutyl-7,7-dimethyl-10-(2-methylphenyl)indeno[1,2-a]carbazole.
What is the SMILES notation for 12-(3a,10c-dihydrofluoranthen-3-yl)-9-cyclobutyl-7,7-dimethyl-10-(2-methylphenyl)indeno[1,2-a]carbazole?
The canonical SMILES for 12-(3a,10c-dihydrofluoranthen-3-yl)-9-cyclobutyl-7,7-dimethyl-10-(2-methylphenyl)indeno[1,2-a]carbazole is Cc1ccccc1-c1cc2c(cc1C1CCC1)C(C)(C)c1ccc3c4ccccc4n(C4=CC=C5c6ccccc6C6=CC=CC4C65)c3c1-2.
What is the InChIKey of 12-(3a,10c-dihydrofluoranthen-3-yl)-9-cyclobutyl-7,7-dimethyl-10-(2-methylphenyl)indeno[1,2-a]carbazole?
The InChIKey is FUPVDKHJLQLRBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H39N/c1-28-12-4-5-15-30(28)39-26-40-42(27-38(39)29-13-10-14-29)48(2,3)41-24-22-36-33-18-8-9-21-43(33)49(47(36)46(40)41)44-25-23-35-32-17-7-6-16-31(32)34-19-11-20-37(44)45(34)35/h4-9,11-12,15-27,29,37,45H,10,13-14H2,1-3H3.
What are the key properties of 12-(3a,10c-dihydrofluoranthen-3-yl)-9-cyclobutyl-7,7-dimethyl-10-(2-methylphenyl)indeno[1,2-a]carbazole?
12-(3a,10c-dihydrofluoranthen-3-yl)-9-cyclobutyl-7,7-dimethyl-10-(2-methylphenyl)indeno[1,2-a]carbazole has a molecular weight of 629.85 g/mol, XLogP of 12.48, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(3a,10c-dihydrofluoranthen-3-yl)-9-cyclobutyl-7,7-dimethyl-10-(2-methylphenyl)indeno[1,2-a]carbazole is sourced from PubChem (CID 145018303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).