6-[9-(7-cyclohexa-2,4-dien-1-yl-9,9-dimethylfluoren-2-yl)-5,6-dihydrocarbazol-3-yl]-9-phenyl-3,4-dihydrocarbazole;ethane

C53H48N2 — CID 144579160

IUPAC6-[9-(7-cyclohexa-2,4-dien-1-yl-9,9-dimethylfluoren-2-yl)-5,6-dihydrocarbazol-3-yl]-9-phenyl-3,4-dihydrocarbazole;ethane
SMILESCC.CC1(C)c2cc(C3C=CC=CC3)ccc2-c2ccc(-n3c4c(c5cc(-c6ccc7c(c6)c6c(n7-c7ccccc7)C=CCC6)ccc53)CCC=C4)cc21
InChIInChI=1S/C51H42N2.C2H6/c1-51(2)45-31-36(33-13-5-3-6-14-33)21-25-39(45)40-26-24-38(32-46(40)51)53-48-20-12-10-18-42(48)44-30-35(23-28-50(44)53)34-22-27-49-43(29-34)41-17-9-11-19-47(41)52(49)37-15-7-4-8-16-37;1-2/h3-8,11-13,15-16,19-33H,9-10,14,17-18H2,1-2H3;1-2H3
InChIKeyHCGNKENVHIMROT-UHFFFAOYSA-N
MW712.98 g/mol
LogP14.09
Rot. Bonds4

About 6-[9-(7-cyclohexa-2,4-dien-1-yl-9,9-dimethylfluoren-2-yl)-5,6-dihydrocarbazol-3-yl]-9-phenyl-3,4-dihydrocarbazole;ethane

6-[9-(7-cyclohexa-2,4-dien-1-yl-9,9-dimethylfluoren-2-yl)-5,6-dihydrocarbazol-3-yl]-9-phenyl-3,4-dihydrocarbazole;ethane (PubChem CID 144579160) has the molecular formula C53H48N2 and a molecular weight of 712.98 g/mol. Its IUPAC name is 6-[9-(7-cyclohexa-2,4-dien-1-yl-9,9-dimethylfluoren-2-yl)-5,6-dihydrocarbazol-3-yl]-9-phenyl-3,4-dihydrocarbazole;ethane.

Molecular Properties

Compound Name6-[9-(7-cyclohexa-2,4-dien-1-yl-9,9-dimethylfluoren-2-yl)-5,6-dihydrocarbazol-3-yl]-9-phenyl-3,4-dihydrocarbazole;ethane
PubChem CID144579160
Molecular FormulaC53H48N2
Molecular Weight712.98 g/mol
Exact Mass712.38
IUPAC Name6-[9-(7-cyclohexa-2,4-dien-1-yl-9,9-dimethylfluoren-2-yl)-5,6-dihydrocarbazol-3-yl]-9-phenyl-3,4-dihydrocarbazole;ethane
SMILESCC.CC1(C)c2cc(C3C=CC=CC3)ccc2-c2ccc(-n3c4c(c5cc(-c6ccc7c(c6)c6c(n7-c7ccccc7)C=CCC6)ccc53)CCC=C4)cc21
InChIInChI=1S/C51H42N2.C2H6/c1-51(2)45-31-36(33-13-5-3-6-14-33)21-25-39(45)40-26-24-38(32-46(40)51)53-48-20-12-10-18-42(48)44-30-35(23-28-50(44)53)34-22-27-49-43(29-34)41-17-9-11-19-47(41)52(49)37-15-7-4-8-16-37;1-2/h3-8,11-13,15-16,19-33H,9-10,14,17-18H2,1-2H3;1-2H3
InChIKeyHCGNKENVHIMROT-UHFFFAOYSA-N
XLogP14.09
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500712.98
LogP ≤ 514.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-[9-(7-cyclohexa-2,4-dien-1-yl-9,9-dimethylfluoren-2-yl)-5,6-dihydrocarbazol-3-yl]-9-phenyl-3,4-dihydrocarbazole;ethane with MolForge

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Related Compounds

2-cyclohexa-2,4-dien-1-yl-5-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 123766277
N-cyclohexa-2,4-dien-1-yl-N-(4-cyclohexa-1,3-dien-1-ylphenyl)-7-(3,4-dihydrocarbazol-9-yl)-9,9-dimethylfluoren-2-amine
CID 155371764
N-cyclohexa-2,4-dien-1-yl-N-(4-cyclohexa-1,5-dien-1-ylphenyl)-7-(3,4-dihydrocarbazol-9-yl)-9,9-dimethylfluoren-2-amine
CID 131994219
7-(3,4-dihydrocarbazol-9-yl)-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine
CID 170245027
3-[9-[3-(3-cyclohexa-2,4-dien-1-ylphenyl)phenyl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 170076078
9-[4-[4-[7-[3-[7-[4,6-bis(4-carbazol-9-ylphenyl)-1,3,5-triazin-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluoren-2-yl]-6-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 89338237
6-(9,9-dimethylfluoren-2-yl)-9-(5-tetracyclo[12.5.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,14,17-nonaenyl)-3,4-dihydrocarbazole
CID 118527854
3-cyclohexa-2,4-dien-1-yl-9-phenylcarbazole
CID 129238287
6-[3-(4-methylphenyl)phenyl]-9-(3-phenylphenyl)-3,4-dihydrocarbazole
CID 144639948
9-phenyl-2-(9-triphenylen-2-yl-5,6-dihydrocarbazol-3-yl)carbazole
CID 163694127
3-[4-[9-(3-cyclohexa-2,4-dien-1-ylphenyl)carbazol-3-yl]phenyl]-9-(3-phenylphenyl)carbazole
CID 145055677
9-(9,9-dimethylfluoren-2-yl)-3-(9-phenyl-7,8-dihydrocarbazol-3-yl)carbazole
CID 146564352

Frequently Asked Questions

What is the IUPAC name of 6-[9-(7-cyclohexa-2,4-dien-1-yl-9,9-dimethylfluoren-2-yl)-5,6-dihydrocarbazol-3-yl]-9-phenyl-3,4-dihydrocarbazole;ethane?
The IUPAC name of 6-[9-(7-cyclohexa-2,4-dien-1-yl-9,9-dimethylfluoren-2-yl)-5,6-dihydrocarbazol-3-yl]-9-phenyl-3,4-dihydrocarbazole;ethane (CID 144579160) is 6-[9-(7-cyclohexa-2,4-dien-1-yl-9,9-dimethylfluoren-2-yl)-5,6-dihydrocarbazol-3-yl]-9-phenyl-3,4-dihydrocarbazole;ethane.
What is the SMILES notation for 6-[9-(7-cyclohexa-2,4-dien-1-yl-9,9-dimethylfluoren-2-yl)-5,6-dihydrocarbazol-3-yl]-9-phenyl-3,4-dihydrocarbazole;ethane?
The canonical SMILES for 6-[9-(7-cyclohexa-2,4-dien-1-yl-9,9-dimethylfluoren-2-yl)-5,6-dihydrocarbazol-3-yl]-9-phenyl-3,4-dihydrocarbazole;ethane is CC.CC1(C)c2cc(C3C=CC=CC3)ccc2-c2ccc(-n3c4c(c5cc(-c6ccc7c(c6)c6c(n7-c7ccccc7)C=CCC6)ccc53)CCC=C4)cc21.
What is the InChIKey of 6-[9-(7-cyclohexa-2,4-dien-1-yl-9,9-dimethylfluoren-2-yl)-5,6-dihydrocarbazol-3-yl]-9-phenyl-3,4-dihydrocarbazole;ethane?
The InChIKey is HCGNKENVHIMROT-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H42N2.C2H6/c1-51(2)45-31-36(33-13-5-3-6-14-33)21-25-39(45)40-26-24-38(32-46(40)51)53-48-20-12-10-18-42(48)44-30-35(23-28-50(44)53)34-22-27-49-43(29-34)41-17-9-11-19-47(41)52(49)37-15-7-4-8-16-37;1-2/h3-8,11-13,15-16,19-33H,9-10,14,17-18H2,1-2H3;1-2H3.
What are the key properties of 6-[9-(7-cyclohexa-2,4-dien-1-yl-9,9-dimethylfluoren-2-yl)-5,6-dihydrocarbazol-3-yl]-9-phenyl-3,4-dihydrocarbazole;ethane?
6-[9-(7-cyclohexa-2,4-dien-1-yl-9,9-dimethylfluoren-2-yl)-5,6-dihydrocarbazol-3-yl]-9-phenyl-3,4-dihydrocarbazole;ethane has a molecular weight of 712.98 g/mol, XLogP of 14.09, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[9-(7-cyclohexa-2,4-dien-1-yl-9,9-dimethylfluoren-2-yl)-5,6-dihydrocarbazol-3-yl]-9-phenyl-3,4-dihydrocarbazole;ethane is sourced from PubChem (CID 144579160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).