9-[2,6-bis[3-(9,9-dimethylfluoren-3-yl)carbazol-9-yl]-3-pyridinyl]-3-(9,9-dimethylfluoren-3-yl)carbazole

C86H62N4 — CID 126632452

IUPAC9-[2,6-bis[3-(9,9-dimethylfluoren-3-yl)carbazol-9-yl]-3-pyridinyl]-3-(9,9-dimethylfluoren-3-yl)carbazole
SMILESCC1(C)c2ccccc2-c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)-c6ccccc6C7(C)C)ccc54)c(-n4c5ccccc5c5cc(-c6ccc7c(c6)-c6ccccc6C7(C)C)ccc54)n3)ccc21
InChIInChI=1S/C86H62N4/c1-84(2)69-25-13-7-19-57(69)63-45-51(31-37-72(63)84)54-34-40-78-66(48-54)60-22-10-16-28-75(60)88(78)81-43-44-82(89-76-29-17-11-23-61(76)67-49-55(35-41-79(67)89)52-32-38-73-64(46-52)58-20-8-14-26-70(58)85(73,3)4)87-83(81)90-77-30-18-12-24-62(77)68-50-56(36-42-80(68)90)53-33-39-74-65(47-53)59-21-9-15-27-71(59)86(74,5)6/h7-50H,1-6H3
InChIKeyILCDHVFYMUGIFO-UHFFFAOYSA-N
MW1151.47 g/mol
LogP22.29
Rot. Bonds6

About 9-[2,6-bis[3-(9,9-dimethylfluoren-3-yl)carbazol-9-yl]-3-pyridinyl]-3-(9,9-dimethylfluoren-3-yl)carbazole

9-[2,6-bis[3-(9,9-dimethylfluoren-3-yl)carbazol-9-yl]-3-pyridinyl]-3-(9,9-dimethylfluoren-3-yl)carbazole (PubChem CID 126632452) has the molecular formula C86H62N4 and a molecular weight of 1151.47 g/mol. Its IUPAC name is 9-[2,6-bis[3-(9,9-dimethylfluoren-3-yl)carbazol-9-yl]-3-pyridinyl]-3-(9,9-dimethylfluoren-3-yl)carbazole.

Molecular Properties

Compound Name9-[2,6-bis[3-(9,9-dimethylfluoren-3-yl)carbazol-9-yl]-3-pyridinyl]-3-(9,9-dimethylfluoren-3-yl)carbazole
PubChem CID126632452
Molecular FormulaC86H62N4
Molecular Weight1151.47 g/mol
Exact Mass1150.50
IUPAC Name9-[2,6-bis[3-(9,9-dimethylfluoren-3-yl)carbazol-9-yl]-3-pyridinyl]-3-(9,9-dimethylfluoren-3-yl)carbazole
SMILESCC1(C)c2ccccc2-c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)-c6ccccc6C7(C)C)ccc54)c(-n4c5ccccc5c5cc(-c6ccc7c(c6)-c6ccccc6C7(C)C)ccc54)n3)ccc21
InChIInChI=1S/C86H62N4/c1-84(2)69-25-13-7-19-57(69)63-45-51(31-37-72(63)84)54-34-40-78-66(48-54)60-22-10-16-28-75(60)88(78)81-43-44-82(89-76-29-17-11-23-61(76)67-49-55(35-41-79(67)89)52-32-38-73-64(46-52)58-20-8-14-26-70(58)85(73,3)4)87-83(81)90-77-30-18-12-24-62(77)68-50-56(36-42-80(68)90)53-33-39-74-65(47-53)59-21-9-15-27-71(59)86(74,5)6/h7-50H,1-6H3
InChIKeyILCDHVFYMUGIFO-UHFFFAOYSA-N
XLogP22.29
TPSA27.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms90
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001151.47
LogP ≤ 522.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(9,9-dimethylfluoren-3-yl)-9-[8-(9,9-dimethylfluoren-2-yl)fluoranthen-3-yl]carbazole
CID 71291314
5-[5-(9,9-dimethylfluoren-3-yl)-2-pyridinyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 118502384
9-[2,4-bis[3-(9,9-dimethylfluoren-3-yl)carbazol-9-yl]quinazolin-6-yl]-3-(9,9-dimethylfluoren-3-yl)carbazole
CID 126632325
3-(9,9-dimethylfluoren-3-yl)-9-[4-[3-(9,9-dimethylfluoren-3-yl)carbazol-9-yl]-6-[4-[4-[4-[3-(9,9-dimethylfluoren-3-yl)carbazol-9-yl]phenyl]phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole
CID 126632340
9-[2-[4-(9,9-dimethylfluoren-3-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole
CID 171724613
3-(9,9-dimethylfluoren-3-yl)-9-[4-(4-phenylphenyl)quinazolin-2-yl]carbazole
CID 142356903
6-(9,9-dimethylfluoren-3-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-naphthalen-1-ylcarbazole
CID 145327658
3-(9,9-dimethylfluoren-3-yl)-9-[4-[3-(9,9-dimethylfluoren-3-yl)carbazol-9-yl]-6-[9-[3-(9,9-dimethylfluoren-3-yl)carbazol-9-yl]-6,6,14,14-tetramethyl-3-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaenyl]-1,3,5-triazin-2-yl]carbazole
CID 126632345
3-[3-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene
CID 130325922
5-[5-(9,9-dimethylfluoren-3-yl)-2-pyridinyl]-6,6-dimethylindeno[2,1-b]indole
CID 121298607
4-[3-[9-[4-(9,9-dimethylfluoren-3-yl)phenyl]carbazol-3-yl]carbazol-9-yl]benzonitrile
CID 118449201
5-[2-(9,9-dimethylfluoren-3-yl)quinazolin-4-yl]benzo[b]carbazole
CID 139361545

Frequently Asked Questions

What is the IUPAC name of 9-[2,6-bis[3-(9,9-dimethylfluoren-3-yl)carbazol-9-yl]-3-pyridinyl]-3-(9,9-dimethylfluoren-3-yl)carbazole?
The IUPAC name of 9-[2,6-bis[3-(9,9-dimethylfluoren-3-yl)carbazol-9-yl]-3-pyridinyl]-3-(9,9-dimethylfluoren-3-yl)carbazole (CID 126632452) is 9-[2,6-bis[3-(9,9-dimethylfluoren-3-yl)carbazol-9-yl]-3-pyridinyl]-3-(9,9-dimethylfluoren-3-yl)carbazole.
What is the SMILES notation for 9-[2,6-bis[3-(9,9-dimethylfluoren-3-yl)carbazol-9-yl]-3-pyridinyl]-3-(9,9-dimethylfluoren-3-yl)carbazole?
The canonical SMILES for 9-[2,6-bis[3-(9,9-dimethylfluoren-3-yl)carbazol-9-yl]-3-pyridinyl]-3-(9,9-dimethylfluoren-3-yl)carbazole is CC1(C)c2ccccc2-c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)-c6ccccc6C7(C)C)ccc54)c(-n4c5ccccc5c5cc(-c6ccc7c(c6)-c6ccccc6C7(C)C)ccc54)n3)ccc21.
What is the InChIKey of 9-[2,6-bis[3-(9,9-dimethylfluoren-3-yl)carbazol-9-yl]-3-pyridinyl]-3-(9,9-dimethylfluoren-3-yl)carbazole?
The InChIKey is ILCDHVFYMUGIFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C86H62N4/c1-84(2)69-25-13-7-19-57(69)63-45-51(31-37-72(63)84)54-34-40-78-66(48-54)60-22-10-16-28-75(60)88(78)81-43-44-82(89-76-29-17-11-23-61(76)67-49-55(35-41-79(67)89)52-32-38-73-64(46-52)58-20-8-14-26-70(58)85(73,3)4)87-83(81)90-77-30-18-12-24-62(77)68-50-56(36-42-80(68)90)53-33-39-74-65(47-53)59-21-9-15-27-71(59)86(74,5)6/h7-50H,1-6H3.
What are the key properties of 9-[2,6-bis[3-(9,9-dimethylfluoren-3-yl)carbazol-9-yl]-3-pyridinyl]-3-(9,9-dimethylfluoren-3-yl)carbazole?
9-[2,6-bis[3-(9,9-dimethylfluoren-3-yl)carbazol-9-yl]-3-pyridinyl]-3-(9,9-dimethylfluoren-3-yl)carbazole has a molecular weight of 1151.47 g/mol, XLogP of 22.29, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2,6-bis[3-(9,9-dimethylfluoren-3-yl)carbazol-9-yl]-3-pyridinyl]-3-(9,9-dimethylfluoren-3-yl)carbazole is sourced from PubChem (CID 126632452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).