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

C49H33N — CID 134370708

IUPAC7-(3,5-dimethylphenyl)-10-(9,9'-spirobi[fluorene]-2-yl)benzo[c]carbazole
SMILESCc1cc(C)cc(-n2c3ccc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)cc3c3c4ccccc4ccc32)c1
InChIInChI=1S/C49H33N/c1-30-25-31(2)27-35(26-30)50-46-23-21-33(28-41(46)48-36-12-4-3-11-32(36)20-24-47(48)50)34-19-22-40-39-15-7-10-18-44(39)49(45(40)29-34)42-16-8-5-13-37(42)38-14-6-9-17-43(38)49/h3-29H,1-2H3
InChIKeyWGDKOHSCLAYXCC-UHFFFAOYSA-N
MW635.81 g/mol
LogP12.56
Rot. Bonds2

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

7-(3,5-dimethylphenyl)-10-(9,9'-spirobi[fluorene]-2-yl)benzo[c]carbazole (PubChem CID 134370708) has the molecular formula C49H33N and a molecular weight of 635.81 g/mol. Its IUPAC name is 7-(3,5-dimethylphenyl)-10-(9,9'-spirobi[fluorene]-2-yl)benzo[c]carbazole.

Molecular Properties

Compound Name7-(3,5-dimethylphenyl)-10-(9,9'-spirobi[fluorene]-2-yl)benzo[c]carbazole
PubChem CID134370708
Molecular FormulaC49H33N
Molecular Weight635.81 g/mol
Exact Mass635.26
IUPAC Name7-(3,5-dimethylphenyl)-10-(9,9'-spirobi[fluorene]-2-yl)benzo[c]carbazole
SMILESCc1cc(C)cc(-n2c3ccc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)cc3c3c4ccccc4ccc32)c1
InChIInChI=1S/C49H33N/c1-30-25-31(2)27-35(26-30)50-46-23-21-33(28-41(46)48-36-12-4-3-11-32(36)20-24-47(48)50)34-19-22-40-39-15-7-10-18-44(39)49(45(40)29-34)42-16-8-5-13-37(42)38-14-6-9-17-43(38)49/h3-29H,1-2H3
InChIKeyWGDKOHSCLAYXCC-UHFFFAOYSA-N
XLogP12.56
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500635.81
LogP ≤ 512.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

7-[4-[3-(3,5-dimethylphenyl)-5-phenylphenyl]phenyl]-10-(9,9'-spirobi[fluorene]-2-yl)benzo[c]carbazole
CID 134370703
CID 134551919
CID 134551919
7-[3-[3-(3,5-dimethylphenyl)phenyl]phenyl]-10-(9,9-diphenylfluoren-2-yl)benzo[c]carbazole
CID 134370705
9-phenyl-3-spiro[benzo[c]fluorene-7,9'-fluorene]-2'-ylcarbazole
CID 129264521
7-phenyl-10-spiro[fluorene-9,9'-xanthene]-2'-ylbenzo[c]carbazole
CID 170042086
9-naphthalen-1-yl-3-[4-[7'-[7'-[4-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]carbazole
CID 59236395
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
9-phenyl-3-[4-[7'-[4-(9-phenylcarbazol-3-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]carbazole
CID 59236537
CID 134551803
CID 134551803
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-[4-(7-phenylbenzo[c]carbazol-10-yl)phenyl]fluoren-2-amine
CID 70853904
7-[4-(4-methylphenyl)phenyl]-10-naphthalen-1-ylbenzo[c]carbazole
CID 123149938

Frequently Asked Questions

What is the IUPAC name of 7-(3,5-dimethylphenyl)-10-(9,9'-spirobi[fluorene]-2-yl)benzo[c]carbazole?
The IUPAC name of 7-(3,5-dimethylphenyl)-10-(9,9'-spirobi[fluorene]-2-yl)benzo[c]carbazole (CID 134370708) is 7-(3,5-dimethylphenyl)-10-(9,9'-spirobi[fluorene]-2-yl)benzo[c]carbazole.
What is the SMILES notation for 7-(3,5-dimethylphenyl)-10-(9,9'-spirobi[fluorene]-2-yl)benzo[c]carbazole?
The canonical SMILES for 7-(3,5-dimethylphenyl)-10-(9,9'-spirobi[fluorene]-2-yl)benzo[c]carbazole is Cc1cc(C)cc(-n2c3ccc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)cc3c3c4ccccc4ccc32)c1.
What is the InChIKey of 7-(3,5-dimethylphenyl)-10-(9,9'-spirobi[fluorene]-2-yl)benzo[c]carbazole?
The InChIKey is WGDKOHSCLAYXCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H33N/c1-30-25-31(2)27-35(26-30)50-46-23-21-33(28-41(46)48-36-12-4-3-11-32(36)20-24-47(48)50)34-19-22-40-39-15-7-10-18-44(39)49(45(40)29-34)42-16-8-5-13-37(42)38-14-6-9-17-43(38)49/h3-29H,1-2H3.
What are the key properties of 7-(3,5-dimethylphenyl)-10-(9,9'-spirobi[fluorene]-2-yl)benzo[c]carbazole?
7-(3,5-dimethylphenyl)-10-(9,9'-spirobi[fluorene]-2-yl)benzo[c]carbazole has a molecular weight of 635.81 g/mol, XLogP of 12.56, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,5-dimethylphenyl)-10-(9,9'-spirobi[fluorene]-2-yl)benzo[c]carbazole is sourced from PubChem (CID 134370708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).