9-[2,4-bis[3-(9,9-dimethylfluoren-3-yl)carbazol-9-yl]quinazolin-6-yl]-3-(9,9-dimethylfluoren-3-yl)carbazole

C89H63N5 — CID 126632325

IUPAC9-[2,4-bis[3-(9,9-dimethylfluoren-3-yl)carbazol-9-yl]quinazolin-6-yl]-3-(9,9-dimethylfluoren-3-yl)carbazole
SMILESCC1(C)c2ccccc2-c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccc4nc(-n5c6ccccc6c6cc(-c7ccc8c(c7)-c7ccccc7C8(C)C)ccc65)nc(-n5c6ccccc6c6cc(-c7ccc8c(c7)-c7ccccc7C8(C)C)ccc65)c4c3)ccc21
InChIInChI=1S/C89H63N5/c1-87(2)72-25-13-7-19-59(72)65-45-52(31-38-75(65)87)55-34-42-82-68(48-55)62-22-10-16-28-79(62)92(82)58-37-41-78-71(51-58)85(93-80-29-17-11-23-63(80)69-49-56(35-43-83(69)93)53-32-39-76-66(46-53)60-20-8-14-26-73(60)88(76,3)4)91-86(90-78)94-81-30-18-12-24-64(81)70-50-57(36-44-84(70)94)54-33-40-77-67(47-54)61-21-9-15-27-74(61)89(77,5)6/h7-51H,1-6H3
InChIKeyHQVWSYNFVKRRIG-UHFFFAOYSA-N
MW1202.52 g/mol
LogP22.84
Rot. Bonds6

About 9-[2,4-bis[3-(9,9-dimethylfluoren-3-yl)carbazol-9-yl]quinazolin-6-yl]-3-(9,9-dimethylfluoren-3-yl)carbazole

9-[2,4-bis[3-(9,9-dimethylfluoren-3-yl)carbazol-9-yl]quinazolin-6-yl]-3-(9,9-dimethylfluoren-3-yl)carbazole (PubChem CID 126632325) has the molecular formula C89H63N5 and a molecular weight of 1202.52 g/mol. Its IUPAC name is 9-[2,4-bis[3-(9,9-dimethylfluoren-3-yl)carbazol-9-yl]quinazolin-6-yl]-3-(9,9-dimethylfluoren-3-yl)carbazole.

Molecular Properties

Compound Name9-[2,4-bis[3-(9,9-dimethylfluoren-3-yl)carbazol-9-yl]quinazolin-6-yl]-3-(9,9-dimethylfluoren-3-yl)carbazole
PubChem CID126632325
Molecular FormulaC89H63N5
Molecular Weight1202.52 g/mol
Exact Mass1201.51
IUPAC Name9-[2,4-bis[3-(9,9-dimethylfluoren-3-yl)carbazol-9-yl]quinazolin-6-yl]-3-(9,9-dimethylfluoren-3-yl)carbazole
SMILESCC1(C)c2ccccc2-c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccc4nc(-n5c6ccccc6c6cc(-c7ccc8c(c7)-c7ccccc7C8(C)C)ccc65)nc(-n5c6ccccc6c6cc(-c7ccc8c(c7)-c7ccccc7C8(C)C)ccc65)c4c3)ccc21
InChIInChI=1S/C89H63N5/c1-87(2)72-25-13-7-19-59(72)65-45-52(31-38-75(65)87)55-34-42-82-68(48-55)62-22-10-16-28-79(62)92(82)58-37-41-78-71(51-58)85(93-80-29-17-11-23-63(80)69-49-56(35-43-83(69)93)53-32-39-76-66(46-53)60-20-8-14-26-73(60)88(76,3)4)91-86(90-78)94-81-30-18-12-24-64(81)70-50-57(36-44-84(70)94)54-33-40-77-67(47-54)61-21-9-15-27-74(61)89(77,5)6/h7-51H,1-6H3
InChIKeyHQVWSYNFVKRRIG-UHFFFAOYSA-N
XLogP22.84
TPSA40.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms94
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001202.52
LogP ≤ 522.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-[2,4-bis[2-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]quinazolin-6-yl]-2-(9,9-dimethylfluoren-2-yl)carbazole
CID 126632255
9-[2,4-bis[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazolin-6-yl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 126630606
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
2-(9,9-dimethylfluoren-3-yl)-9-[2-[2-(9,9-dimethylfluoren-3-yl)carbazol-9-yl]-4-[3-[2-(9,9-dimethylfluoren-3-yl)carbazol-9-yl]phenyl]quinazolin-6-yl]carbazole
CID 126632204
3-(9,9-dimethylfluoren-3-yl)-9-[4-(4-phenylphenyl)quinazolin-2-yl]carbazole
CID 142356903
3,6-bis(9-phenylcarbazol-3-yl)-9-[4-phenyl-2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazolin-6-yl]carbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-[4-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]quinazolin-2-yl]carbazole
CID 158717562
3-(9,9-dimethylfluoren-3-yl)-9-[4-[3-(9,9-dimethylfluoren-3-yl)carbazol-9-yl]-6-[7-[3-(9,9-dimethylfluoren-3-yl)carbazol-9-yl]-9,9-diphenylfluoren-2-yl]-1,3,5-triazin-2-yl]carbazole
CID 126632338
3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(4,6-diphenylpyrimidin-2-yl)carbazole
CID 58511641
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
7,7-dimethyl-2,5-bis(9-phenylcarbazol-3-yl)indeno[2,1-b]carbazole
CID 89472025
2-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole
CID 66804832
2-carbazol-9-yl-7,7-dimethyl-5-(4-phenylphenyl)indeno[2,1-b]carbazole;7,7-dimethyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-5-(4-phenylphenyl)indeno[2,1-b]carbazole
CID 159588417

Frequently Asked Questions

What is the IUPAC name of 9-[2,4-bis[3-(9,9-dimethylfluoren-3-yl)carbazol-9-yl]quinazolin-6-yl]-3-(9,9-dimethylfluoren-3-yl)carbazole?
The IUPAC name of 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) is 9-[2,4-bis[3-(9,9-dimethylfluoren-3-yl)carbazol-9-yl]quinazolin-6-yl]-3-(9,9-dimethylfluoren-3-yl)carbazole.
What is the SMILES notation for 9-[2,4-bis[3-(9,9-dimethylfluoren-3-yl)carbazol-9-yl]quinazolin-6-yl]-3-(9,9-dimethylfluoren-3-yl)carbazole?
The canonical SMILES for 9-[2,4-bis[3-(9,9-dimethylfluoren-3-yl)carbazol-9-yl]quinazolin-6-yl]-3-(9,9-dimethylfluoren-3-yl)carbazole is CC1(C)c2ccccc2-c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccc4nc(-n5c6ccccc6c6cc(-c7ccc8c(c7)-c7ccccc7C8(C)C)ccc65)nc(-n5c6ccccc6c6cc(-c7ccc8c(c7)-c7ccccc7C8(C)C)ccc65)c4c3)ccc21.
What is the InChIKey of 9-[2,4-bis[3-(9,9-dimethylfluoren-3-yl)carbazol-9-yl]quinazolin-6-yl]-3-(9,9-dimethylfluoren-3-yl)carbazole?
The InChIKey is HQVWSYNFVKRRIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C89H63N5/c1-87(2)72-25-13-7-19-59(72)65-45-52(31-38-75(65)87)55-34-42-82-68(48-55)62-22-10-16-28-79(62)92(82)58-37-41-78-71(51-58)85(93-80-29-17-11-23-63(80)69-49-56(35-43-83(69)93)53-32-39-76-66(46-53)60-20-8-14-26-73(60)88(76,3)4)91-86(90-78)94-81-30-18-12-24-64(81)70-50-57(36-44-84(70)94)54-33-40-77-67(47-54)61-21-9-15-27-74(61)89(77,5)6/h7-51H,1-6H3.
What are the key properties of 9-[2,4-bis[3-(9,9-dimethylfluoren-3-yl)carbazol-9-yl]quinazolin-6-yl]-3-(9,9-dimethylfluoren-3-yl)carbazole?
9-[2,4-bis[3-(9,9-dimethylfluoren-3-yl)carbazol-9-yl]quinazolin-6-yl]-3-(9,9-dimethylfluoren-3-yl)carbazole has a molecular weight of 1202.52 g/mol, XLogP of 22.84, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2,4-bis[3-(9,9-dimethylfluoren-3-yl)carbazol-9-yl]quinazolin-6-yl]-3-(9,9-dimethylfluoren-3-yl)carbazole is sourced from PubChem (CID 126632325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).