6-[(4aS)-9,9-dimethyl-4,4a-dihydrofluoren-2-yl]-7,7-dimethyl-12-phenylindeno[1,2-a]carbazole

C42H35N — CID 167148607

IUPAC6-[(4aS)-9,9-dimethyl-4,4a-dihydrofluoren-2-yl]-7,7-dimethyl-12-phenylindeno[1,2-a]carbazole
SMILESCC1(C)C2=CC(c3cc4c5ccccc5n(-c5ccccc5)c4c4c3C(C)(C)c3ccccc3-4)=CC[C@@H]2c2ccccc21
InChIInChI=1S/C42H35N/c1-41(2)34-19-11-8-16-28(34)29-23-22-26(24-36(29)41)32-25-33-30-17-10-13-21-37(30)43(27-14-6-5-7-15-27)40(33)38-31-18-9-12-20-35(31)42(3,4)39(32)38/h5-22,24-25,29H,23H2,1-4H3/t29-/m1/s1
InChIKeyLODTVHDRSWEUON-GDLZYMKVSA-N
MW553.75 g/mol
LogP10.88
Rot. Bonds2

About 6-[(4aS)-9,9-dimethyl-4,4a-dihydrofluoren-2-yl]-7,7-dimethyl-12-phenylindeno[1,2-a]carbazole

6-[(4aS)-9,9-dimethyl-4,4a-dihydrofluoren-2-yl]-7,7-dimethyl-12-phenylindeno[1,2-a]carbazole (PubChem CID 167148607) has the molecular formula C42H35N and a molecular weight of 553.75 g/mol. Its IUPAC name is 6-[(4aS)-9,9-dimethyl-4,4a-dihydrofluoren-2-yl]-7,7-dimethyl-12-phenylindeno[1,2-a]carbazole.

Molecular Properties

Compound Name6-[(4aS)-9,9-dimethyl-4,4a-dihydrofluoren-2-yl]-7,7-dimethyl-12-phenylindeno[1,2-a]carbazole
PubChem CID167148607
Molecular FormulaC42H35N
Molecular Weight553.75 g/mol
Exact Mass553.28
IUPAC Name6-[(4aS)-9,9-dimethyl-4,4a-dihydrofluoren-2-yl]-7,7-dimethyl-12-phenylindeno[1,2-a]carbazole
SMILESCC1(C)C2=CC(c3cc4c5ccccc5n(-c5ccccc5)c4c4c3C(C)(C)c3ccccc3-4)=CC[C@@H]2c2ccccc21
InChIInChI=1S/C42H35N/c1-41(2)34-19-11-8-16-28(34)29-23-22-26(24-36(29)41)32-25-33-30-17-10-13-21-37(30)43(27-14-6-5-7-15-27)40(33)38-31-18-9-12-20-35(31)42(3,4)39(32)38/h5-22,24-25,29H,23H2,1-4H3/t29-/m1/s1
InChIKeyLODTVHDRSWEUON-GDLZYMKVSA-N
XLogP10.88
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.75
LogP ≤ 510.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-12-phenylindeno[1,2-a]carbazole
CID 134530411
9,9-dimethyl-19-phenyl-19-azaheptacyclo[15.11.0.02,10.03,8.011,16.018,26.020,25]octacosa-1(17),2(10),3,5,7,11,13,15,18(26),20,22,24,27-tridecaene
CID 126737984
6-cyclohexa-1,5-dien-1-yl-7,7-dimethyl-3-phenyl-12-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]indeno[1,2-a]carbazole
CID 167082258
21,21,31,31-tetramethyl-3-phenyl-3,26-diazaundecacyclo[24.13.1.02,10.04,9.012,40.013,25.014,22.015,20.027,39.030,38.032,37]tetraconta-1,4,6,8,10,12(40),13(25),14(22),15,17,19,23,27(39),28,30(38),32,34,36-octadecaene
CID 146376435
20,20-dimethyl-4-azahexacyclo[11.7.0.02,4.03,11.05,10.014,19]icosa-1(13),2,5,7,9,11,14,16,18-nonaene
CID 90278208
12-[4-(4,6-diphenyl-1,3,5-triazinan-2-yl)phenyl]-7,7-dimethylindeno[1,2-a]carbazole
CID 121343632
9-(9,9-dimethylfluoren-2-yl)-18,18-dimethyl-21-phenyl-9,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene
CID 118635692
N-[(4aS)-9,9-dimethyl-4,4a-dihydrofluoren-2-yl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]pyridin-2-amine
CID 167246980
24,24-dimethyl-3-phenyl-3,19-diazanonacyclo[17.13.1.02,10.04,9.012,33.013,18.020,32.023,31.025,30]tritriaconta-1,4,6,8,10,12(33),13,15,17,20(32),21,23(31),25,27,29-pentadecaene
CID 153449348
10-[4-(2,3-dihydrofluoranthen-3-yl)phenyl]-16,16-dimethyl-10-azahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4,6,8,12,14,17,19,21,23-undecaene
CID 144741042
8,8-dimethyl-22-(9-phenyl-9H-fluoren-3-yl)-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2,4,6,9,11,13,15(23),16,18,20-undecaene
CID 134510254
7,7-dimethyl-12-triphenylen-2-ylindeno[1,2-a]carbazole
CID 90441170

Frequently Asked Questions

What is the IUPAC name of 6-[(4aS)-9,9-dimethyl-4,4a-dihydrofluoren-2-yl]-7,7-dimethyl-12-phenylindeno[1,2-a]carbazole?
The IUPAC name of 6-[(4aS)-9,9-dimethyl-4,4a-dihydrofluoren-2-yl]-7,7-dimethyl-12-phenylindeno[1,2-a]carbazole (CID 167148607) is 6-[(4aS)-9,9-dimethyl-4,4a-dihydrofluoren-2-yl]-7,7-dimethyl-12-phenylindeno[1,2-a]carbazole.
What is the SMILES notation for 6-[(4aS)-9,9-dimethyl-4,4a-dihydrofluoren-2-yl]-7,7-dimethyl-12-phenylindeno[1,2-a]carbazole?
The canonical SMILES for 6-[(4aS)-9,9-dimethyl-4,4a-dihydrofluoren-2-yl]-7,7-dimethyl-12-phenylindeno[1,2-a]carbazole is CC1(C)C2=CC(c3cc4c5ccccc5n(-c5ccccc5)c4c4c3C(C)(C)c3ccccc3-4)=CC[C@@H]2c2ccccc21.
What is the InChIKey of 6-[(4aS)-9,9-dimethyl-4,4a-dihydrofluoren-2-yl]-7,7-dimethyl-12-phenylindeno[1,2-a]carbazole?
The InChIKey is LODTVHDRSWEUON-GDLZYMKVSA-N. The full InChI is InChI=1S/C42H35N/c1-41(2)34-19-11-8-16-28(34)29-23-22-26(24-36(29)41)32-25-33-30-17-10-13-21-37(30)43(27-14-6-5-7-15-27)40(33)38-31-18-9-12-20-35(31)42(3,4)39(32)38/h5-22,24-25,29H,23H2,1-4H3/t29-/m1/s1.
What are the key properties of 6-[(4aS)-9,9-dimethyl-4,4a-dihydrofluoren-2-yl]-7,7-dimethyl-12-phenylindeno[1,2-a]carbazole?
6-[(4aS)-9,9-dimethyl-4,4a-dihydrofluoren-2-yl]-7,7-dimethyl-12-phenylindeno[1,2-a]carbazole has a molecular weight of 553.75 g/mol, XLogP of 10.88, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4aS)-9,9-dimethyl-4,4a-dihydrofluoren-2-yl]-7,7-dimethyl-12-phenylindeno[1,2-a]carbazole is sourced from PubChem (CID 167148607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).