ethane;5-(8-ethyl-9H-fluoren-3-yl)-11,11-diphenylindeno[1,2-b]carbazole;prop-1-en-2-ylbenzene;1-prop-1-en-2-ylcyclohexa-1,3-diene

C66H61N — CID 144953458

IUPACethane;5-(8-ethyl-9H-fluoren-3-yl)-11,11-diphenylindeno[1,2-b]carbazole;prop-1-en-2-ylbenzene;1-prop-1-en-2-ylcyclohexa-1,3-diene
SMILESC=C(C)C1=CC=CCC1.C=C(C)c1ccccc1.CC.CCc1cccc2c1Cc1ccc(-n3c4ccccc4c4cc5c(cc43)-c3ccccc3C5(c3ccccc3)c3ccccc3)cc1-2
InChIInChI=1S/C46H33N.C9H12.C9H10.C2H6/c1-2-30-14-13-21-35-38(30)26-31-24-25-34(27-39(31)35)47-44-23-12-10-20-37(44)41-28-43-40(29-45(41)47)36-19-9-11-22-42(36)46(43,32-15-5-3-6-16-32)33-17-7-4-8-18-33;2*1-8(2)9-6-4-3-5-7-9;1-2/h3-25,27-29H,2,26H2,1H3;3-4,6H,1,5,7H2,2H3;3-7H,1H2,2H3;1-2H3
InChIKeyGXFVMGLBIKQGBZ-UHFFFAOYSA-N
MW868.22 g/mol
LogP17.87
Rot. Bonds6

About ethane;5-(8-ethyl-9H-fluoren-3-yl)-11,11-diphenylindeno[1,2-b]carbazole;prop-1-en-2-ylbenzene;1-prop-1-en-2-ylcyclohexa-1,3-diene

ethane;5-(8-ethyl-9H-fluoren-3-yl)-11,11-diphenylindeno[1,2-b]carbazole;prop-1-en-2-ylbenzene;1-prop-1-en-2-ylcyclohexa-1,3-diene (PubChem CID 144953458) has the molecular formula C66H61N and a molecular weight of 868.22 g/mol. Its IUPAC name is ethane;5-(8-ethyl-9H-fluoren-3-yl)-11,11-diphenylindeno[1,2-b]carbazole;prop-1-en-2-ylbenzene;1-prop-1-en-2-ylcyclohexa-1,3-diene.

Molecular Properties

Compound Nameethane;5-(8-ethyl-9H-fluoren-3-yl)-11,11-diphenylindeno[1,2-b]carbazole;prop-1-en-2-ylbenzene;1-prop-1-en-2-ylcyclohexa-1,3-diene
PubChem CID144953458
Molecular FormulaC66H61N
Molecular Weight868.22 g/mol
Exact Mass867.48
IUPAC Nameethane;5-(8-ethyl-9H-fluoren-3-yl)-11,11-diphenylindeno[1,2-b]carbazole;prop-1-en-2-ylbenzene;1-prop-1-en-2-ylcyclohexa-1,3-diene
SMILESC=C(C)C1=CC=CCC1.C=C(C)c1ccccc1.CC.CCc1cccc2c1Cc1ccc(-n3c4ccccc4c4cc5c(cc43)-c3ccccc3C5(c3ccccc3)c3ccccc3)cc1-2
InChIInChI=1S/C46H33N.C9H12.C9H10.C2H6/c1-2-30-14-13-21-35-38(30)26-31-24-25-34(27-39(31)35)47-44-23-12-10-20-37(44)41-28-43-40(29-45(41)47)36-19-9-11-22-42(36)46(43,32-15-5-3-6-16-32)33-17-7-4-8-18-33;2*1-8(2)9-6-4-3-5-7-9;1-2/h3-25,27-29H,2,26H2,1H3;3-4,6H,1,5,7H2,2H3;3-7H,1H2,2H3;1-2H3
InChIKeyGXFVMGLBIKQGBZ-UHFFFAOYSA-N
XLogP17.87
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500868.22
LogP ≤ 517.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze ethane;5-(8-ethyl-9H-fluoren-3-yl)-11,11-diphenylindeno[1,2-b]carbazole;prop-1-en-2-ylbenzene;1-prop-1-en-2-ylcyclohexa-1,3-diene with MolForge

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Related Compounds

3-carbazol-9-yl-11-phenyl-8-(9-phenylfluoren-9-yl)-12H-indeno[2,1-a]carbazole
CID 58489697
5-[4-(4-carbazol-9-ylphenyl)phenyl]-11,11-diphenylindeno[1,2-b]carbazole
CID 168783626
5-naphthalen-2-yl-2-(9-naphthalen-2-ylcarbazol-3-yl)-7,7-diphenylindeno[2,1-b]carbazole;5-naphthalen-2-yl-2-(9-naphthalen-2-ylcarbazol-3-yl)-11,11-diphenylindeno[1,2-b]carbazole
CID 160877708
7,7-diphenyl-5-(3-phenylphenyl)-2-[9-(4-phenylphenyl)carbazol-3-yl]indeno[2,1-b]carbazole;11,11-diphenyl-5-(3-phenylphenyl)-2-[9-(4-phenylphenyl)carbazol-3-yl]indeno[1,2-b]carbazole
CID 161280871
7,7-diphenyl-5-(4-phenylphenyl)-2-[9-(3-phenylphenyl)carbazol-3-yl]indeno[2,1-b]carbazole;11,11-diphenyl-5-(4-phenylphenyl)-2-[9-(3-phenylphenyl)carbazol-3-yl]indeno[1,2-b]carbazole
CID 158074658
7'-(9H-fluoren-1-yl)-5'-phenylspiro[fluorene-9,11'-indeno[1,2-b]carbazole]
CID 158397567
9-(9,9-diphenylfluoren-2-yl)-3-methylcarbazole;9-(9H-fluoren-2-yl)-3-methylcarbazole;3-methyl-9-[4-(9-phenylfluoren-9-yl)phenyl]carbazole;3-methyl-9-(9,9'-spirobi[fluorene]-2-yl)carbazole
CID 160834176
methane;9-[3-(9-phenylfluoren-9-yl)phenyl]carbazole
CID 158348177
11,11-diphenyl-5-[3-(10-tetraphenylen-2-ylanthracen-9-yl)phenyl]indeno[1,2-b]carbazole
CID 138553243
5'-[9-(4-methylphenyl)carbazol-3-yl]spiro[fluorene-9,11'-indeno[1,2-b]carbazole]
CID 167052788
5-[4-(9H-fluoren-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-7,7-diphenylindeno[2,1-b]carbazole
CID 169014713
11,11-bis(4-carbazol-9-ylphenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)indeno[1,2-b]carbazole
CID 87413796

Frequently Asked Questions

What is the IUPAC name of ethane;5-(8-ethyl-9H-fluoren-3-yl)-11,11-diphenylindeno[1,2-b]carbazole;prop-1-en-2-ylbenzene;1-prop-1-en-2-ylcyclohexa-1,3-diene?
The IUPAC name of ethane;5-(8-ethyl-9H-fluoren-3-yl)-11,11-diphenylindeno[1,2-b]carbazole;prop-1-en-2-ylbenzene;1-prop-1-en-2-ylcyclohexa-1,3-diene (CID 144953458) is ethane;5-(8-ethyl-9H-fluoren-3-yl)-11,11-diphenylindeno[1,2-b]carbazole;prop-1-en-2-ylbenzene;1-prop-1-en-2-ylcyclohexa-1,3-diene.
What is the SMILES notation for ethane;5-(8-ethyl-9H-fluoren-3-yl)-11,11-diphenylindeno[1,2-b]carbazole;prop-1-en-2-ylbenzene;1-prop-1-en-2-ylcyclohexa-1,3-diene?
The canonical SMILES for ethane;5-(8-ethyl-9H-fluoren-3-yl)-11,11-diphenylindeno[1,2-b]carbazole;prop-1-en-2-ylbenzene;1-prop-1-en-2-ylcyclohexa-1,3-diene is C=C(C)C1=CC=CCC1.C=C(C)c1ccccc1.CC.CCc1cccc2c1Cc1ccc(-n3c4ccccc4c4cc5c(cc43)-c3ccccc3C5(c3ccccc3)c3ccccc3)cc1-2.
What is the InChIKey of ethane;5-(8-ethyl-9H-fluoren-3-yl)-11,11-diphenylindeno[1,2-b]carbazole;prop-1-en-2-ylbenzene;1-prop-1-en-2-ylcyclohexa-1,3-diene?
The InChIKey is GXFVMGLBIKQGBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H33N.C9H12.C9H10.C2H6/c1-2-30-14-13-21-35-38(30)26-31-24-25-34(27-39(31)35)47-44-23-12-10-20-37(44)41-28-43-40(29-45(41)47)36-19-9-11-22-42(36)46(43,32-15-5-3-6-16-32)33-17-7-4-8-18-33;2*1-8(2)9-6-4-3-5-7-9;1-2/h3-25,27-29H,2,26H2,1H3;3-4,6H,1,5,7H2,2H3;3-7H,1H2,2H3;1-2H3.
What are the key properties of ethane;5-(8-ethyl-9H-fluoren-3-yl)-11,11-diphenylindeno[1,2-b]carbazole;prop-1-en-2-ylbenzene;1-prop-1-en-2-ylcyclohexa-1,3-diene?
ethane;5-(8-ethyl-9H-fluoren-3-yl)-11,11-diphenylindeno[1,2-b]carbazole;prop-1-en-2-ylbenzene;1-prop-1-en-2-ylcyclohexa-1,3-diene has a molecular weight of 868.22 g/mol, XLogP of 17.87, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-(8-ethyl-9H-fluoren-3-yl)-11,11-diphenylindeno[1,2-b]carbazole;prop-1-en-2-ylbenzene;1-prop-1-en-2-ylcyclohexa-1,3-diene is sourced from PubChem (CID 144953458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).