3-carbazol-9-yl-9-(4-methylphenyl)sulfonyl-6-(9-phenylfluoren-9-yl)carbazole

C50H34N2O2S — CID 167052770

IUPAC3-carbazol-9-yl-9-(4-methylphenyl)sulfonyl-6-(9-phenylfluoren-9-yl)carbazole
SMILESCc1ccc(S(=O)(=O)n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(C4(c5ccccc5)c5ccccc5-c5ccccc54)ccc32)cc1
InChIInChI=1S/C50H34N2O2S/c1-33-23-27-37(28-24-33)55(53,54)52-48-29-25-35(50(34-13-3-2-4-14-34)44-19-9-5-15-38(44)39-16-6-10-20-45(39)50)31-42(48)43-32-36(26-30-49(43)52)51-46-21-11-7-17-40(46)41-18-8-12-22-47(41)51/h2-32H,1H3
InChIKeyWIVLNOURCBVQKH-UHFFFAOYSA-N
MW726.90 g/mol
LogP11.80
Rot. Bonds5

About 3-carbazol-9-yl-9-(4-methylphenyl)sulfonyl-6-(9-phenylfluoren-9-yl)carbazole

3-carbazol-9-yl-9-(4-methylphenyl)sulfonyl-6-(9-phenylfluoren-9-yl)carbazole (PubChem CID 167052770) has the molecular formula C50H34N2O2S and a molecular weight of 726.90 g/mol. Its IUPAC name is 3-carbazol-9-yl-9-(4-methylphenyl)sulfonyl-6-(9-phenylfluoren-9-yl)carbazole.

Molecular Properties

Compound Name3-carbazol-9-yl-9-(4-methylphenyl)sulfonyl-6-(9-phenylfluoren-9-yl)carbazole
PubChem CID167052770
Molecular FormulaC50H34N2O2S
Molecular Weight726.90 g/mol
Exact Mass726.23
IUPAC Name3-carbazol-9-yl-9-(4-methylphenyl)sulfonyl-6-(9-phenylfluoren-9-yl)carbazole
SMILESCc1ccc(S(=O)(=O)n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(C4(c5ccccc5)c5ccccc5-c5ccccc54)ccc32)cc1
InChIInChI=1S/C50H34N2O2S/c1-33-23-27-37(28-24-33)55(53,54)52-48-29-25-35(50(34-13-3-2-4-14-34)44-19-9-5-15-38(44)39-16-6-10-20-45(39)50)31-42(48)43-32-36(26-30-49(43)52)51-46-21-11-7-17-40(46)41-18-8-12-22-47(41)51/h2-32H,1H3
InChIKeyWIVLNOURCBVQKH-UHFFFAOYSA-N
XLogP11.80
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500726.90
LogP ≤ 511.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-9-(4-methylphenyl)sulfonyl-6-(9-phenylfluoren-9-yl)carbazole
CID 177279524
3-(3-carbazol-9-ylcarbazol-9-yl)-9-[9-[9-(4-methylphenyl)sulfonylcarbazol-3-yl]carbazol-3-yl]carbazole
CID 24814813
3-[3-[3-(3-carbazol-9-ylcarbazol-9-yl)carbazol-9-yl]carbazol-9-yl]-9-[9-[9-[9-(4-methylphenyl)sulfonylcarbazol-3-yl]carbazol-3-yl]carbazol-3-yl]carbazole
CID 25209134
9-phenyl-3-(9-phenylfluoren-9-yl)-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
CID 121311550
3-carbazol-9-yl-9-(9-phenylcarbazol-4-yl)-6-(9-phenylfluoren-9-yl)carbazole
CID 167052712
9-(4-carbazol-9-ylphenyl)-3-[9-[9-(4-carbazol-9-ylphenyl)carbazol-3-yl]-2,7-dimethylfluoren-9-yl]carbazole
CID 58412014
3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[4-[4-[4-[3-[9-[4-(3-phenylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590519
9-phenyl-6-(9-phenylcarbazol-3-yl)-2-(9-phenylfluoren-9-yl)carbazole
CID 118145084
methane;9-[3-(9-phenylfluoren-9-yl)phenyl]carbazole
CID 158348177
3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-[4-(4-methylphenyl)phenyl]carbazole;3-[9-(9,9-diphenylfluoren-2-yl)carbazol-3-yl]-9-[4-(4-methylphenyl)phenyl]carbazole
CID 162026936
5'-[9-(4-methylphenyl)carbazol-3-yl]spiro[fluorene-9,11'-indeno[1,2-b]carbazole]
CID 167052788
3-[9-[4-[3-[4-[3-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole
CID 154590573

Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-9-(4-methylphenyl)sulfonyl-6-(9-phenylfluoren-9-yl)carbazole?
The IUPAC name of 3-carbazol-9-yl-9-(4-methylphenyl)sulfonyl-6-(9-phenylfluoren-9-yl)carbazole (CID 167052770) is 3-carbazol-9-yl-9-(4-methylphenyl)sulfonyl-6-(9-phenylfluoren-9-yl)carbazole.
What is the SMILES notation for 3-carbazol-9-yl-9-(4-methylphenyl)sulfonyl-6-(9-phenylfluoren-9-yl)carbazole?
The canonical SMILES for 3-carbazol-9-yl-9-(4-methylphenyl)sulfonyl-6-(9-phenylfluoren-9-yl)carbazole is Cc1ccc(S(=O)(=O)n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(C4(c5ccccc5)c5ccccc5-c5ccccc54)ccc32)cc1.
What is the InChIKey of 3-carbazol-9-yl-9-(4-methylphenyl)sulfonyl-6-(9-phenylfluoren-9-yl)carbazole?
The InChIKey is WIVLNOURCBVQKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H34N2O2S/c1-33-23-27-37(28-24-33)55(53,54)52-48-29-25-35(50(34-13-3-2-4-14-34)44-19-9-5-15-38(44)39-16-6-10-20-45(39)50)31-42(48)43-32-36(26-30-49(43)52)51-46-21-11-7-17-40(46)41-18-8-12-22-47(41)51/h2-32H,1H3.
What are the key properties of 3-carbazol-9-yl-9-(4-methylphenyl)sulfonyl-6-(9-phenylfluoren-9-yl)carbazole?
3-carbazol-9-yl-9-(4-methylphenyl)sulfonyl-6-(9-phenylfluoren-9-yl)carbazole has a molecular weight of 726.90 g/mol, XLogP of 11.80, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbazol-9-yl-9-(4-methylphenyl)sulfonyl-6-(9-phenylfluoren-9-yl)carbazole is sourced from PubChem (CID 167052770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).