9-[7'-carbazol-9-yl-1,4-bis[(E)-2-carbazol-9-ylprop-1-enyl]-2,3-dimethylspiro[cyclopenta-1,3-diene-5,9'-fluorene]-2'-yl]carbazole

C73H52N4 — CID 145024547

IUPAC9-[7'-carbazol-9-yl-1,4-bis[(E)-2-carbazol-9-ylprop-1-enyl]-2,3-dimethylspiro[cyclopenta-1,3-diene-5,9'-fluorene]-2'-yl]carbazole
SMILESCC1=C(/C=C(\C)n2c3ccccc3c3ccccc32)C2(C(/C=C(\C)n3c4ccccc4c4ccccc43)=C1C)c1cc(-n3c4ccccc4c4ccccc43)ccc1-c1ccc(-n3c4ccccc4c4ccccc43)cc12
InChIInChI=1S/C73H52N4/c1-45(74-65-29-13-5-21-53(65)54-22-6-14-30-66(54)74)41-61-47(3)48(4)62(42-46(2)75-67-31-15-7-23-55(67)56-24-8-16-32-68(56)75)73(61)63-43-49(76-69-33-17-9-25-57(69)58-26-10-18-34-70(58)76)37-39-51(63)52-40-38-50(44-64(52)73)77-71-35-19-11-27-59(71)60-28-12-20-36-72(60)77/h5-44H,1-4H3/b45-41+,46-42+
InChIKeyJFMPIZLJLPZZOB-UWXPRHHASA-N
MW985.25 g/mol
LogP19.13
Rot. Bonds6

About 9-[7'-carbazol-9-yl-1,4-bis[(E)-2-carbazol-9-ylprop-1-enyl]-2,3-dimethylspiro[cyclopenta-1,3-diene-5,9'-fluorene]-2'-yl]carbazole

9-[7'-carbazol-9-yl-1,4-bis[(E)-2-carbazol-9-ylprop-1-enyl]-2,3-dimethylspiro[cyclopenta-1,3-diene-5,9'-fluorene]-2'-yl]carbazole (PubChem CID 145024547) has the molecular formula C73H52N4 and a molecular weight of 985.25 g/mol. Its IUPAC name is 9-[7'-carbazol-9-yl-1,4-bis[(E)-2-carbazol-9-ylprop-1-enyl]-2,3-dimethylspiro[cyclopenta-1,3-diene-5,9'-fluorene]-2'-yl]carbazole.

Molecular Properties

Compound Name9-[7'-carbazol-9-yl-1,4-bis[(E)-2-carbazol-9-ylprop-1-enyl]-2,3-dimethylspiro[cyclopenta-1,3-diene-5,9'-fluorene]-2'-yl]carbazole
PubChem CID145024547
Molecular FormulaC73H52N4
Molecular Weight985.25 g/mol
Exact Mass984.42
IUPAC Name9-[7'-carbazol-9-yl-1,4-bis[(E)-2-carbazol-9-ylprop-1-enyl]-2,3-dimethylspiro[cyclopenta-1,3-diene-5,9'-fluorene]-2'-yl]carbazole
SMILESCC1=C(/C=C(\C)n2c3ccccc3c3ccccc32)C2(C(/C=C(\C)n3c4ccccc4c4ccccc43)=C1C)c1cc(-n3c4ccccc4c4ccccc43)ccc1-c1ccc(-n3c4ccccc4c4ccccc43)cc12
InChIInChI=1S/C73H52N4/c1-45(74-65-29-13-5-21-53(65)54-22-6-14-30-66(54)74)41-61-47(3)48(4)62(42-46(2)75-67-31-15-7-23-55(67)56-24-8-16-32-68(56)75)73(61)63-43-49(76-69-33-17-9-25-57(69)58-26-10-18-34-70(58)76)37-39-51(63)52-40-38-50(44-64(52)73)77-71-35-19-11-27-59(71)60-28-12-20-36-72(60)77/h5-44H,1-4H3/b45-41+,46-42+
InChIKeyJFMPIZLJLPZZOB-UWXPRHHASA-N
XLogP19.13
TPSA19.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500985.25
LogP ≤ 519.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9-[7'-carbazol-9-yl-1,4-bis[(E)-2-carbazol-9-ylprop-1-enyl]-2,3-dimethylspiro[cyclopenta-1,3-diene-5,9'-fluorene]-2'-yl]carbazole with MolForge

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Related Compounds

7-phenyl-5-(9,9'-spirobi[fluorene]-2-yl)indolo[2,3-b]carbazole
CID 122595613
9-[9,9-dimethyl-7-(3-methylcarbazol-9-yl)fluoren-2-yl]-3-methylcarbazole
CID 86066589
16-[(3E)-hexa-1,3,5-trien-3-yl]-20-(9,9'-spirobi[fluorene]-2-yl)-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14(19),15,17,21,23-dodecaene
CID 142363382
9-naphthalen-2-yl-3-[(E)-2-[7'-[(E)-2-(9-naphthalen-2-ylcarbazol-3-yl)ethenyl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]carbazole
CID 59236373
9-(4-carbazol-9-ylphenyl)-3-[9-[9-(4-carbazol-9-ylphenyl)carbazol-3-yl]-2,7-dimethylfluoren-9-yl]carbazole
CID 58412014
9-(9,9-dimethylfluoren-2-yl)carbazole;toluene
CID 145272995
3-(7'-carbazol-9-yl-9,9'-spirobi[fluorene]-2'-yl)-[1,2,4]triazolo[4,3-f]phenanthridine
CID 58068624
CID 134551753
CID 134551753
9-(3-methyl-4-phenylphenyl)carbazole
CID 138667631
[2',7'-di(carbazol-9-yl)-7-(4-phenylbenzoyl)-9,9'-spirobi[fluorene]-2-yl]-(4-phenylphenyl)methanone
CID 58084748
3-[9-(9,9-diphenylfluoren-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 118449222
N-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-N-methyl-9,9'-spirobi[fluorene]-2-amine
CID 58903596

Frequently Asked Questions

What is the IUPAC name of 9-[7'-carbazol-9-yl-1,4-bis[(E)-2-carbazol-9-ylprop-1-enyl]-2,3-dimethylspiro[cyclopenta-1,3-diene-5,9'-fluorene]-2'-yl]carbazole?
The IUPAC name of 9-[7'-carbazol-9-yl-1,4-bis[(E)-2-carbazol-9-ylprop-1-enyl]-2,3-dimethylspiro[cyclopenta-1,3-diene-5,9'-fluorene]-2'-yl]carbazole (CID 145024547) is 9-[7'-carbazol-9-yl-1,4-bis[(E)-2-carbazol-9-ylprop-1-enyl]-2,3-dimethylspiro[cyclopenta-1,3-diene-5,9'-fluorene]-2'-yl]carbazole.
What is the SMILES notation for 9-[7'-carbazol-9-yl-1,4-bis[(E)-2-carbazol-9-ylprop-1-enyl]-2,3-dimethylspiro[cyclopenta-1,3-diene-5,9'-fluorene]-2'-yl]carbazole?
The canonical SMILES for 9-[7'-carbazol-9-yl-1,4-bis[(E)-2-carbazol-9-ylprop-1-enyl]-2,3-dimethylspiro[cyclopenta-1,3-diene-5,9'-fluorene]-2'-yl]carbazole is CC1=C(/C=C(\C)n2c3ccccc3c3ccccc32)C2(C(/C=C(\C)n3c4ccccc4c4ccccc43)=C1C)c1cc(-n3c4ccccc4c4ccccc43)ccc1-c1ccc(-n3c4ccccc4c4ccccc43)cc12.
What is the InChIKey of 9-[7'-carbazol-9-yl-1,4-bis[(E)-2-carbazol-9-ylprop-1-enyl]-2,3-dimethylspiro[cyclopenta-1,3-diene-5,9'-fluorene]-2'-yl]carbazole?
The InChIKey is JFMPIZLJLPZZOB-UWXPRHHASA-N. The full InChI is InChI=1S/C73H52N4/c1-45(74-65-29-13-5-21-53(65)54-22-6-14-30-66(54)74)41-61-47(3)48(4)62(42-46(2)75-67-31-15-7-23-55(67)56-24-8-16-32-68(56)75)73(61)63-43-49(76-69-33-17-9-25-57(69)58-26-10-18-34-70(58)76)37-39-51(63)52-40-38-50(44-64(52)73)77-71-35-19-11-27-59(71)60-28-12-20-36-72(60)77/h5-44H,1-4H3/b45-41+,46-42+.
What are the key properties of 9-[7'-carbazol-9-yl-1,4-bis[(E)-2-carbazol-9-ylprop-1-enyl]-2,3-dimethylspiro[cyclopenta-1,3-diene-5,9'-fluorene]-2'-yl]carbazole?
9-[7'-carbazol-9-yl-1,4-bis[(E)-2-carbazol-9-ylprop-1-enyl]-2,3-dimethylspiro[cyclopenta-1,3-diene-5,9'-fluorene]-2'-yl]carbazole has a molecular weight of 985.25 g/mol, XLogP of 19.13, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[7'-carbazol-9-yl-1,4-bis[(E)-2-carbazol-9-ylprop-1-enyl]-2,3-dimethylspiro[cyclopenta-1,3-diene-5,9'-fluorene]-2'-yl]carbazole is sourced from PubChem (CID 145024547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).