6-[6-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-1,9-dimethyl-4-naphthalen-1-yl-8-phenyldibenzothiophen-2-yl]-9-phenylpyrido[3,4-b]indole

C72H50N2S — CID 58059157

IUPAC6-[6-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-1,9-dimethyl-4-naphthalen-1-yl-8-phenyldibenzothiophen-2-yl]-9-phenylpyrido[3,4-b]indole
SMILESCc1c(-c2ccc3c(c2)c2ccncc2n3-c2ccccc2)cc(-c2cccc3ccccc23)c2sc3c(-c4ccc(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)c5ccccc45)cc(-c4ccccc4)c(C)c3c12
InChIInChI=1S/C72H50N2S/c1-43-59(46-18-7-5-8-19-46)40-63(55-34-33-51(52-25-13-14-26-54(52)55)48-30-32-57-56-27-15-16-29-64(56)72(3,4)65(57)39-48)71-68(43)69-44(2)60(41-62(70(69)75-71)53-28-17-21-45-20-11-12-24-50(45)53)47-31-35-66-61(38-47)58-36-37-73-42-67(58)74(66)49-22-9-6-10-23-49/h5-42H,1-4H3
InChIKeyLSMBJDSENAUAOB-UHFFFAOYSA-N
MW975.27 g/mol
LogP20.11
Rot. Bonds6

About 6-[6-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-1,9-dimethyl-4-naphthalen-1-yl-8-phenyldibenzothiophen-2-yl]-9-phenylpyrido[3,4-b]indole

6-[6-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-1,9-dimethyl-4-naphthalen-1-yl-8-phenyldibenzothiophen-2-yl]-9-phenylpyrido[3,4-b]indole (PubChem CID 58059157) has the molecular formula C72H50N2S and a molecular weight of 975.27 g/mol. Its IUPAC name is 6-[6-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-1,9-dimethyl-4-naphthalen-1-yl-8-phenyldibenzothiophen-2-yl]-9-phenylpyrido[3,4-b]indole.

Molecular Properties

Compound Name6-[6-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-1,9-dimethyl-4-naphthalen-1-yl-8-phenyldibenzothiophen-2-yl]-9-phenylpyrido[3,4-b]indole
PubChem CID58059157
Molecular FormulaC72H50N2S
Molecular Weight975.27 g/mol
Exact Mass974.37
IUPAC Name6-[6-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-1,9-dimethyl-4-naphthalen-1-yl-8-phenyldibenzothiophen-2-yl]-9-phenylpyrido[3,4-b]indole
SMILESCc1c(-c2ccc3c(c2)c2ccncc2n3-c2ccccc2)cc(-c2cccc3ccccc23)c2sc3c(-c4ccc(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)c5ccccc45)cc(-c4ccccc4)c(C)c3c12
InChIInChI=1S/C72H50N2S/c1-43-59(46-18-7-5-8-19-46)40-63(55-34-33-51(52-25-13-14-26-54(52)55)48-30-32-57-56-27-15-16-29-64(56)72(3,4)65(57)39-48)71-68(43)69-44(2)60(41-62(70(69)75-71)53-28-17-21-45-20-11-12-24-50(45)53)47-31-35-66-61(38-47)58-36-37-73-42-67(58)74(66)49-22-9-6-10-23-49/h5-42H,1-4H3
InChIKeyLSMBJDSENAUAOB-UHFFFAOYSA-N
XLogP20.11
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500975.27
LogP ≤ 520.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-[6-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-1,9-dimethyl-4-naphthalen-1-yl-8-phenyldibenzothiophen-2-yl]-9-phenylpyrido[3,4-b]indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7,7-dimethyl-5-phenyl-2-(4-phenylnaphthalen-1-yl)indeno[2,1-b]carbazole
CID 170395420
3-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-5-naphthalen-1-ylphenyl]-9-(4-phenylphenyl)carbazole;3-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-5-phenylphenyl]-9-(4-phenylphenyl)carbazole;9-phenyl-3-[3-phenyl-5-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 158437914
N-[4-[3-(4,5-dinaphthalen-1-ylnaphthalen-1-yl)phenyl]phenyl]-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 137392093
N,N-bis(4-phenylphenyl)-3-pyrido[3,4-b]indol-9-ylaniline;9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[4-(3-pyrido[3,4-b]indol-9-ylphenyl)phenyl]fluoren-2-amine;N-(4-phenylphenyl)-N-[4-[4-(3-pyrido[3,4-b]indol-9-ylphenyl)phenyl]phenyl]phenanthren-2-amine;N-(4-phenylphenyl)-N-[4-(3-pyrido[3,4-b]indol-9-ylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 159057170
3-[4-[9,9-dimethyl-7-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]fluoren-2-yl]naphthalen-1-yl]-9-phenylcarbazole
CID 59236172
8-[9-(9,9-dimethylfluoren-2-yl)carbazol-2-yl]-5-(4-phenylphenyl)pyrido[4,3-b]indole
CID 146187854
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-7-(9-phenylcarbazol-3-yl)-N-[4-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]fluoren-2-amine
CID 89212856
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-7-(9-phenylcarbazol-2-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 89212871
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-9-phenylcarbazol-2-amine
CID 177122369
3-[4-(3-carbazol-9-ylphenyl)-6-(9,9-dimethylfluoren-2-yl)pyrimidin-2-yl]-9-phenylcarbazole
CID 67678402
9,9-dimethyl-N-[4-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 67964234
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[3-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]fluoren-2-amine
CID 90393592

Frequently Asked Questions

What is the IUPAC name of 6-[6-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-1,9-dimethyl-4-naphthalen-1-yl-8-phenyldibenzothiophen-2-yl]-9-phenylpyrido[3,4-b]indole?
The IUPAC name of 6-[6-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-1,9-dimethyl-4-naphthalen-1-yl-8-phenyldibenzothiophen-2-yl]-9-phenylpyrido[3,4-b]indole (CID 58059157) is 6-[6-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-1,9-dimethyl-4-naphthalen-1-yl-8-phenyldibenzothiophen-2-yl]-9-phenylpyrido[3,4-b]indole.
What is the SMILES notation for 6-[6-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-1,9-dimethyl-4-naphthalen-1-yl-8-phenyldibenzothiophen-2-yl]-9-phenylpyrido[3,4-b]indole?
The canonical SMILES for 6-[6-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-1,9-dimethyl-4-naphthalen-1-yl-8-phenyldibenzothiophen-2-yl]-9-phenylpyrido[3,4-b]indole is Cc1c(-c2ccc3c(c2)c2ccncc2n3-c2ccccc2)cc(-c2cccc3ccccc23)c2sc3c(-c4ccc(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)c5ccccc45)cc(-c4ccccc4)c(C)c3c12.
What is the InChIKey of 6-[6-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-1,9-dimethyl-4-naphthalen-1-yl-8-phenyldibenzothiophen-2-yl]-9-phenylpyrido[3,4-b]indole?
The InChIKey is LSMBJDSENAUAOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H50N2S/c1-43-59(46-18-7-5-8-19-46)40-63(55-34-33-51(52-25-13-14-26-54(52)55)48-30-32-57-56-27-15-16-29-64(56)72(3,4)65(57)39-48)71-68(43)69-44(2)60(41-62(70(69)75-71)53-28-17-21-45-20-11-12-24-50(45)53)47-31-35-66-61(38-47)58-36-37-73-42-67(58)74(66)49-22-9-6-10-23-49/h5-42H,1-4H3.
What are the key properties of 6-[6-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-1,9-dimethyl-4-naphthalen-1-yl-8-phenyldibenzothiophen-2-yl]-9-phenylpyrido[3,4-b]indole?
6-[6-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-1,9-dimethyl-4-naphthalen-1-yl-8-phenyldibenzothiophen-2-yl]-9-phenylpyrido[3,4-b]indole has a molecular weight of 975.27 g/mol, XLogP of 20.11, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-1,9-dimethyl-4-naphthalen-1-yl-8-phenyldibenzothiophen-2-yl]-9-phenylpyrido[3,4-b]indole is sourced from PubChem (CID 58059157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).