7-[4-[3-(3,5-dimethylphenyl)-5-phenylphenyl]phenyl]-10-(9,9'-spirobi[fluorene]-2-yl)benzo[c]carbazole

C67H45N — CID 134370703

IUPAC7-[4-[3-(3,5-dimethylphenyl)-5-phenylphenyl]phenyl]-10-(9,9'-spirobi[fluorene]-2-yl)benzo[c]carbazole
SMILESCc1cc(C)cc(-c2cc(-c3ccccc3)cc(-c3ccc(-n4c5ccc(-c6ccc7c(c6)C6(c8ccccc8-c8ccccc86)c6ccccc6-7)cc5c5c6ccccc6ccc54)cc3)c2)c1
InChIInChI=1S/C67H45N/c1-42-34-43(2)36-49(35-42)52-38-50(44-14-4-3-5-15-44)37-51(39-52)45-24-29-53(30-25-45)68-64-32-28-47(40-59(64)66-54-17-7-6-16-46(54)27-33-65(66)68)48-26-31-58-57-20-10-13-23-62(57)67(63(58)41-48)60-21-11-8-18-55(60)56-19-9-12-22-61(56)67/h3-41H,1-2H3
InChIKeyPHRLMRGOMMNWNE-UHFFFAOYSA-N
MW864.10 g/mol
LogP17.57
Rot. Bonds5

About 7-[4-[3-(3,5-dimethylphenyl)-5-phenylphenyl]phenyl]-10-(9,9'-spirobi[fluorene]-2-yl)benzo[c]carbazole

7-[4-[3-(3,5-dimethylphenyl)-5-phenylphenyl]phenyl]-10-(9,9'-spirobi[fluorene]-2-yl)benzo[c]carbazole (PubChem CID 134370703) has the molecular formula C67H45N and a molecular weight of 864.10 g/mol. Its IUPAC name is 7-[4-[3-(3,5-dimethylphenyl)-5-phenylphenyl]phenyl]-10-(9,9'-spirobi[fluorene]-2-yl)benzo[c]carbazole.

Molecular Properties

Compound Name7-[4-[3-(3,5-dimethylphenyl)-5-phenylphenyl]phenyl]-10-(9,9'-spirobi[fluorene]-2-yl)benzo[c]carbazole
PubChem CID134370703
Molecular FormulaC67H45N
Molecular Weight864.10 g/mol
Exact Mass863.36
IUPAC Name7-[4-[3-(3,5-dimethylphenyl)-5-phenylphenyl]phenyl]-10-(9,9'-spirobi[fluorene]-2-yl)benzo[c]carbazole
SMILESCc1cc(C)cc(-c2cc(-c3ccccc3)cc(-c3ccc(-n4c5ccc(-c6ccc7c(c6)C6(c8ccccc8-c8ccccc86)c6ccccc6-7)cc5c5c6ccccc6ccc54)cc3)c2)c1
InChIInChI=1S/C67H45N/c1-42-34-43(2)36-49(35-42)52-38-50(44-14-4-3-5-15-44)37-51(39-52)45-24-29-53(30-25-45)68-64-32-28-47(40-59(64)66-54-17-7-6-16-46(54)27-33-65(66)68)48-26-31-58-57-20-10-13-23-62(57)67(63(58)41-48)60-21-11-8-18-55(60)56-19-9-12-22-61(56)67/h3-41H,1-2H3
InChIKeyPHRLMRGOMMNWNE-UHFFFAOYSA-N
XLogP17.57
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500864.10
LogP ≤ 517.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

7-(3,5-dimethylphenyl)-10-(9,9'-spirobi[fluorene]-2-yl)benzo[c]carbazole
CID 134370708
7-[3-[3-(3,5-dimethylphenyl)phenyl]phenyl]-10-(9,9-diphenylfluoren-2-yl)benzo[c]carbazole
CID 134370705
3-(7'-carbazol-9-yl-9,9'-spirobi[fluorene]-2'-yl)-9-naphthalen-1-ylcarbazole;3-(7'-carbazol-9-yl-9,9'-spirobi[fluorene]-2'-yl)-9-(4-phenylphenyl)carbazole
CID 158661132
9,9-diphenyl-N-[4-(7-phenylbenzo[c]carbazol-10-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 118282644
CID 134551919
CID 134551919
9-phenyl-3-(3'-phenylspiro[benzo[b]fluorene-11,9'-fluorene]-3-yl)carbazole
CID 138623650
9-phenyl-3-[4-[7'-[4-(9-phenylcarbazol-3-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]carbazole
CID 59236537
7-phenyl-10-spiro[fluorene-9,9'-xanthene]-2'-ylbenzo[c]carbazole
CID 170042086
9-[4-[4-[4-[4-[3-[9-(9,9-diphenylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]phenyl]phenyl]phenyl]-3-phenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 134354328
3-[9-(9,9-diphenylfluoren-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 118449222
3,6-bis[4-[3,6-bis(9,9-diphenylfluoren-2-yl)carbazol-9-yl]phenyl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 59306581
3-(9,9-dimethylfluoren-2-yl)-9-(3,5-diphenylphenyl)-6-(9-phenylcarbazol-3-yl)carbazole;9-(3,5-diphenylphenyl)-3-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)carbazole
CID 158206724

Frequently Asked Questions

What is the IUPAC name of 7-[4-[3-(3,5-dimethylphenyl)-5-phenylphenyl]phenyl]-10-(9,9'-spirobi[fluorene]-2-yl)benzo[c]carbazole?
The IUPAC name of 7-[4-[3-(3,5-dimethylphenyl)-5-phenylphenyl]phenyl]-10-(9,9'-spirobi[fluorene]-2-yl)benzo[c]carbazole (CID 134370703) is 7-[4-[3-(3,5-dimethylphenyl)-5-phenylphenyl]phenyl]-10-(9,9'-spirobi[fluorene]-2-yl)benzo[c]carbazole.
What is the SMILES notation for 7-[4-[3-(3,5-dimethylphenyl)-5-phenylphenyl]phenyl]-10-(9,9'-spirobi[fluorene]-2-yl)benzo[c]carbazole?
The canonical SMILES for 7-[4-[3-(3,5-dimethylphenyl)-5-phenylphenyl]phenyl]-10-(9,9'-spirobi[fluorene]-2-yl)benzo[c]carbazole is Cc1cc(C)cc(-c2cc(-c3ccccc3)cc(-c3ccc(-n4c5ccc(-c6ccc7c(c6)C6(c8ccccc8-c8ccccc86)c6ccccc6-7)cc5c5c6ccccc6ccc54)cc3)c2)c1.
What is the InChIKey of 7-[4-[3-(3,5-dimethylphenyl)-5-phenylphenyl]phenyl]-10-(9,9'-spirobi[fluorene]-2-yl)benzo[c]carbazole?
The InChIKey is PHRLMRGOMMNWNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H45N/c1-42-34-43(2)36-49(35-42)52-38-50(44-14-4-3-5-15-44)37-51(39-52)45-24-29-53(30-25-45)68-64-32-28-47(40-59(64)66-54-17-7-6-16-46(54)27-33-65(66)68)48-26-31-58-57-20-10-13-23-62(57)67(63(58)41-48)60-21-11-8-18-55(60)56-19-9-12-22-61(56)67/h3-41H,1-2H3.
What are the key properties of 7-[4-[3-(3,5-dimethylphenyl)-5-phenylphenyl]phenyl]-10-(9,9'-spirobi[fluorene]-2-yl)benzo[c]carbazole?
7-[4-[3-(3,5-dimethylphenyl)-5-phenylphenyl]phenyl]-10-(9,9'-spirobi[fluorene]-2-yl)benzo[c]carbazole has a molecular weight of 864.10 g/mol, XLogP of 17.57, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[3-(3,5-dimethylphenyl)-5-phenylphenyl]phenyl]-10-(9,9'-spirobi[fluorene]-2-yl)benzo[c]carbazole is sourced from PubChem (CID 134370703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).