9-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-2-(2-fluoroethyl)carbazole

C41H31FN2 — CID 163523905

IUPAC9-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-2-(2-fluoroethyl)carbazole
SMILESCC1(C)c2cc(-n3c4ccccc4c4ccccc43)ccc2-c2ccc(-n3c4ccccc4c4ccc(CCF)cc43)cc21
InChIInChI=1S/C41H31FN2/c1-41(2)35-24-27(43-37-12-6-3-9-31(37)32-10-4-7-13-38(32)43)16-19-29(35)30-20-17-28(25-36(30)41)44-39-14-8-5-11-33(39)34-18-15-26(21-22-42)23-40(34)44/h3-20,23-25H,21-22H2,1-2H3
InChIKeyDNCNYFGOHLNNNZ-UHFFFAOYSA-N
MW570.71 g/mol
LogP10.70
Rot. Bonds4

About 9-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-2-(2-fluoroethyl)carbazole

9-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-2-(2-fluoroethyl)carbazole (PubChem CID 163523905) has the molecular formula C41H31FN2 and a molecular weight of 570.71 g/mol. Its IUPAC name is 9-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-2-(2-fluoroethyl)carbazole.

Molecular Properties

Compound Name9-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-2-(2-fluoroethyl)carbazole
PubChem CID163523905
Molecular FormulaC41H31FN2
Molecular Weight570.71 g/mol
Exact Mass570.25
IUPAC Name9-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-2-(2-fluoroethyl)carbazole
SMILESCC1(C)c2cc(-n3c4ccccc4c4ccccc43)ccc2-c2ccc(-n3c4ccccc4c4ccc(CCF)cc43)cc21
InChIInChI=1S/C41H31FN2/c1-41(2)35-24-27(43-37-12-6-3-9-31(37)32-10-4-7-13-38(32)43)16-19-29(35)30-20-17-28(25-36(30)41)44-39-14-8-5-11-33(39)34-18-15-26(21-22-42)23-40(34)44/h3-20,23-25H,21-22H2,1-2H3
InChIKeyDNCNYFGOHLNNNZ-UHFFFAOYSA-N
XLogP10.70
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.71
LogP ≤ 510.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-carbazol-9-yl-9-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazole
CID 121274445
9-[9,9-dimethyl-7-(3-methylcarbazol-9-yl)fluoren-2-yl]-3-methylcarbazole
CID 86066589
9-(9,9-dimethylfluoren-2-yl)-2-triphenylen-2-ylcarbazole
CID 118919712
9-(9,9-dimethylfluoren-2-yl)carbazole;toluene
CID 145272995
5-(9,9-dimethyl-7-pyrido[3,2-b]indol-5-ylfluoren-2-yl)pyrido[3,2-b]indole
CID 135131175
11,11-dimethyl-5-triphenylen-2-ylindeno[1,2-b]carbazole
CID 118488496
7,7-dimethyl-5-(7,9,9-trimethylfluoren-2-yl)indeno[2,1-b]carbazole
CID 118214461
CID 134551753
CID 134551753
7,7-dimethyl-5-(9-phenylcarbazol-2-yl)indeno[2,1-b]carbazole
CID 89472164
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
9-[7-(9,9-dimethylfluoren-2-yl)phenanthren-2-yl]carbazole
CID 118595114

Frequently Asked Questions

What is the IUPAC name of 9-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-2-(2-fluoroethyl)carbazole?
The IUPAC name of 9-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-2-(2-fluoroethyl)carbazole (CID 163523905) is 9-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-2-(2-fluoroethyl)carbazole.
What is the SMILES notation for 9-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-2-(2-fluoroethyl)carbazole?
The canonical SMILES for 9-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-2-(2-fluoroethyl)carbazole is CC1(C)c2cc(-n3c4ccccc4c4ccccc43)ccc2-c2ccc(-n3c4ccccc4c4ccc(CCF)cc43)cc21.
What is the InChIKey of 9-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-2-(2-fluoroethyl)carbazole?
The InChIKey is DNCNYFGOHLNNNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H31FN2/c1-41(2)35-24-27(43-37-12-6-3-9-31(37)32-10-4-7-13-38(32)43)16-19-29(35)30-20-17-28(25-36(30)41)44-39-14-8-5-11-33(39)34-18-15-26(21-22-42)23-40(34)44/h3-20,23-25H,21-22H2,1-2H3.
What are the key properties of 9-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-2-(2-fluoroethyl)carbazole?
9-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-2-(2-fluoroethyl)carbazole has a molecular weight of 570.71 g/mol, XLogP of 10.70, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-2-(2-fluoroethyl)carbazole is sourced from PubChem (CID 163523905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).