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

C42H33N — CID 134530411

IUPAC6-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-12-phenylindeno[1,2-a]carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3cc4c5ccccc5n(-c5ccccc5)c4c4c3C(C)(C)c3ccccc3-4)cc21
InChIInChI=1S/C42H33N/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/h5-25H,1-4H3
InChIKeyQFBUIDGBTWURIE-UHFFFAOYSA-N
MW551.73 g/mol
LogP11.06
Rot. Bonds2

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

6-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-12-phenylindeno[1,2-a]carbazole (PubChem CID 134530411) has the molecular formula C42H33N and a molecular weight of 551.73 g/mol. Its IUPAC name is 6-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-12-phenylindeno[1,2-a]carbazole.

Molecular Properties

Compound Name6-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-12-phenylindeno[1,2-a]carbazole
PubChem CID134530411
Molecular FormulaC42H33N
Molecular Weight551.73 g/mol
Exact Mass551.26
IUPAC Name6-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-12-phenylindeno[1,2-a]carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3cc4c5ccccc5n(-c5ccccc5)c4c4c3C(C)(C)c3ccccc3-4)cc21
InChIInChI=1S/C42H33N/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/h5-25H,1-4H3
InChIKeyQFBUIDGBTWURIE-UHFFFAOYSA-N
XLogP11.06
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.73
LogP ≤ 511.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-phenylcarbazole
CID 129312013
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
1-(9,9-dimethylfluoren-2-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 147949558
3-[4-[9,9-dimethyl-7-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]fluoren-2-yl]naphthalen-1-yl]-9-phenylcarbazole
CID 59236172
2-[4-(12,12-dimethyl-11-phenylindeno[2,1-a]carbazol-2-yl)phenyl]-12,12-dimethyl-11-phenylindeno[2,1-a]carbazole
CID 67473689
8-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-12,12-dimethyl-11-phenylindeno[2,1-a]carbazole
CID 130289398
15-(9,9-dimethylfluoren-2-yl)-10-phenyl-10-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 90310203
2-(9,9-dimethylfluoren-2-yl)-3-(1,2-diphenylindol-3-yl)-1-[4-(4-phenylphenyl)phenyl]indole
CID 129085606
N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]fluoren-2-amine
CID 139568156
3-[3-(9,9-dimethylfluoren-2-yl)-5-triphenylen-2-ylphenyl]-6,9-diphenylcarbazole;9-phenyl-3-[3-(3-phenylphenyl)-5-triphenylen-2-ylphenyl]carbazole;9-phenyl-3-[3-(4-phenylphenyl)-5-triphenylen-2-ylphenyl]carbazole
CID 161477367
11-[4-(9,9-dimethylfluoren-4-yl)phenyl]-5-phenylindolo[3,2-b]carbazole
CID 118487938
12-[4-(9,9-dimethylfluoren-3-yl)phenyl]-7,7-dimethylindeno[1,2-a]carbazole
CID 118502376

Frequently Asked Questions

What is the IUPAC name of 6-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-12-phenylindeno[1,2-a]carbazole?
The IUPAC name of 6-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-12-phenylindeno[1,2-a]carbazole (CID 134530411) is 6-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-12-phenylindeno[1,2-a]carbazole.
What is the SMILES notation for 6-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-12-phenylindeno[1,2-a]carbazole?
The canonical SMILES for 6-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-12-phenylindeno[1,2-a]carbazole is CC1(C)c2ccccc2-c2ccc(-c3cc4c5ccccc5n(-c5ccccc5)c4c4c3C(C)(C)c3ccccc3-4)cc21.
What is the InChIKey of 6-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-12-phenylindeno[1,2-a]carbazole?
The InChIKey is QFBUIDGBTWURIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H33N/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/h5-25H,1-4H3.
What are the key properties of 6-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-12-phenylindeno[1,2-a]carbazole?
6-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-12-phenylindeno[1,2-a]carbazole has a molecular weight of 551.73 g/mol, XLogP of 11.06, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-12-phenylindeno[1,2-a]carbazole is sourced from PubChem (CID 134530411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).