9-[9,9-dimethyl-7-(3-methylcarbazol-9-yl)fluoren-2-yl]-3-methylcarbazole

C41H32N2 — CID 86066589

IUPAC9-[9,9-dimethyl-7-(3-methylcarbazol-9-yl)fluoren-2-yl]-3-methylcarbazole
SMILESCc1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)C(C)(C)c1cc(-n3c4ccccc4c4cc(C)ccc43)ccc1-2
InChIInChI=1S/C41H32N2/c1-25-13-19-39-33(21-25)31-9-5-7-11-37(31)42(39)27-15-17-29-30-18-16-28(24-36(30)41(3,4)35(29)23-27)43-38-12-8-6-10-32(38)34-22-26(2)14-20-40(34)43/h5-24H,1-4H3
InChIKeyOTEHRLWJPIOUOX-UHFFFAOYSA-N
MW552.72 g/mol
LogP10.80
Rot. Bonds2

About 9-[9,9-dimethyl-7-(3-methylcarbazol-9-yl)fluoren-2-yl]-3-methylcarbazole

9-[9,9-dimethyl-7-(3-methylcarbazol-9-yl)fluoren-2-yl]-3-methylcarbazole (PubChem CID 86066589) has the molecular formula C41H32N2 and a molecular weight of 552.72 g/mol. Its IUPAC name is 9-[9,9-dimethyl-7-(3-methylcarbazol-9-yl)fluoren-2-yl]-3-methylcarbazole.

Molecular Properties

Compound Name9-[9,9-dimethyl-7-(3-methylcarbazol-9-yl)fluoren-2-yl]-3-methylcarbazole
PubChem CID86066589
Molecular FormulaC41H32N2
Molecular Weight552.72 g/mol
Exact Mass552.26
IUPAC Name9-[9,9-dimethyl-7-(3-methylcarbazol-9-yl)fluoren-2-yl]-3-methylcarbazole
SMILESCc1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)C(C)(C)c1cc(-n3c4ccccc4c4cc(C)ccc43)ccc1-2
InChIInChI=1S/C41H32N2/c1-25-13-19-39-33(21-25)31-9-5-7-11-37(31)42(39)27-15-17-29-30-18-16-28(24-36(30)41(3,4)35(29)23-27)43-38-12-8-6-10-32(38)34-22-26(2)14-20-40(34)43/h5-24H,1-4H3
InChIKeyOTEHRLWJPIOUOX-UHFFFAOYSA-N
XLogP10.80
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.72
LogP ≤ 510.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7,7-dimethyl-5-(7,9,9-trimethylfluoren-2-yl)indeno[2,1-b]carbazole
CID 118214461
9-(9,9-dimethylfluoren-2-yl)carbazole;toluene
CID 145272995
2-carbazol-9-yl-9-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazole
CID 121274445
9,11,11-trimethyl-5-phenylindeno[1,2-b]carbazole
CID 71250183
3-bromo-9-(9,9-dimethylfluoren-2-yl)carbazole
CID 89472048
9-[7-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,9-dimethylfluoren-2-yl]carbazole
CID 58676147
3-[9-(11,11-dimethylbenzo[b]fluoren-2-yl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole
CID 176786074
2-N,7-N-bis[4-(3,6-dimethylcarbazol-9-yl)phenyl]-9,9-dimethyl-2-N,7-N-diphenylfluorene-2,7-diamine
CID 58969350
3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-[4-(4-methylphenyl)phenyl]carbazole;3-[9-(9,9-diphenylfluoren-2-yl)carbazol-3-yl]-9-[4-(4-methylphenyl)phenyl]carbazole
CID 162026936
5,11-bis(7,9-dimethyl-9-phenylfluoren-2-yl)-2,8-dimethylindolo[3,2-b]carbazole
CID 129133615
9-(9,9-dimethylfluoren-2-yl)-14-(9,9-dimethylfluoren-3-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 122595589
9-(9,9-dimethylfluoren-2-yl)-3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazole;9-(9,9-dimethylfluoren-2-yl)-3-[9-(9,9-dimethylfluoren-2-yl)-6-naphthalen-2-ylcarbazol-3-yl]-6-naphthalen-2-ylcarbazole
CID 162081661

Frequently Asked Questions

What is the IUPAC name of 9-[9,9-dimethyl-7-(3-methylcarbazol-9-yl)fluoren-2-yl]-3-methylcarbazole?
The IUPAC name of 9-[9,9-dimethyl-7-(3-methylcarbazol-9-yl)fluoren-2-yl]-3-methylcarbazole (CID 86066589) is 9-[9,9-dimethyl-7-(3-methylcarbazol-9-yl)fluoren-2-yl]-3-methylcarbazole.
What is the SMILES notation for 9-[9,9-dimethyl-7-(3-methylcarbazol-9-yl)fluoren-2-yl]-3-methylcarbazole?
The canonical SMILES for 9-[9,9-dimethyl-7-(3-methylcarbazol-9-yl)fluoren-2-yl]-3-methylcarbazole is Cc1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)C(C)(C)c1cc(-n3c4ccccc4c4cc(C)ccc43)ccc1-2.
What is the InChIKey of 9-[9,9-dimethyl-7-(3-methylcarbazol-9-yl)fluoren-2-yl]-3-methylcarbazole?
The InChIKey is OTEHRLWJPIOUOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H32N2/c1-25-13-19-39-33(21-25)31-9-5-7-11-37(31)42(39)27-15-17-29-30-18-16-28(24-36(30)41(3,4)35(29)23-27)43-38-12-8-6-10-32(38)34-22-26(2)14-20-40(34)43/h5-24H,1-4H3.
What are the key properties of 9-[9,9-dimethyl-7-(3-methylcarbazol-9-yl)fluoren-2-yl]-3-methylcarbazole?
9-[9,9-dimethyl-7-(3-methylcarbazol-9-yl)fluoren-2-yl]-3-methylcarbazole has a molecular weight of 552.72 g/mol, XLogP of 10.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[9,9-dimethyl-7-(3-methylcarbazol-9-yl)fluoren-2-yl]-3-methylcarbazole is sourced from PubChem (CID 86066589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).