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

C95H67N5 — CID 126632204

IUPAC2-(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
SMILESCC1(C)c2ccccc2-c2cc(-c3ccc4c5ccccc5n(-c5cccc(-c6nc(-n7c8ccccc8c8ccc(-c9ccc%10c(c9)-c9ccccc9C%10(C)C)cc87)nc7ccc(-n8c9ccccc9c9ccc(-c%10ccc%11c(c%10)-c%10ccccc%10C%11(C)C)cc98)cc67)c5)c4c3)ccc21
InChIInChI=1S/C95H67N5/c1-93(2)78-28-13-7-22-65(78)74-49-56(37-44-81(74)93)59-34-41-71-68-25-10-16-31-85(68)98(88(71)52-59)63-21-19-20-62(48-63)91-77-55-64(99-86-32-17-11-26-69(86)72-42-35-60(53-89(72)99)57-38-45-82-75(50-57)66-23-8-14-29-79(66)94(82,3)4)40-47-84(77)96-92(97-91)100-87-33-18-12-27-70(87)73-43-36-61(54-90(73)100)58-39-46-83-76(51-58)67-24-9-15-30-80(67)95(83,5)6/h7-55H,1-6H3
InChIKeyRDFUQBKKOKDARU-UHFFFAOYSA-N
MW1278.62 g/mol
LogP24.51
Rot. Bonds7

About 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

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 (PubChem CID 126632204) has the molecular formula C95H67N5 and a molecular weight of 1278.62 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(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
PubChem CID126632204
Molecular FormulaC95H67N5
Molecular Weight1278.62 g/mol
Exact Mass1277.54
IUPAC Name2-(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
SMILESCC1(C)c2ccccc2-c2cc(-c3ccc4c5ccccc5n(-c5cccc(-c6nc(-n7c8ccccc8c8ccc(-c9ccc%10c(c9)-c9ccccc9C%10(C)C)cc87)nc7ccc(-n8c9ccccc9c9ccc(-c%10ccc%11c(c%10)-c%10ccccc%10C%11(C)C)cc98)cc67)c5)c4c3)ccc21
InChIInChI=1S/C95H67N5/c1-93(2)78-28-13-7-22-65(78)74-49-56(37-44-81(74)93)59-34-41-71-68-25-10-16-31-85(68)98(88(71)52-59)63-21-19-20-62(48-63)91-77-55-64(99-86-32-17-11-26-69(86)72-42-35-60(53-89(72)99)57-38-45-82-75(50-57)66-23-8-14-29-79(66)94(82,3)4)40-47-84(77)96-92(97-91)100-87-33-18-12-27-70(87)73-43-36-61(54-90(73)100)58-39-46-83-76(51-58)67-24-9-15-30-80(67)95(83,5)6/h7-55H,1-6H3
InChIKeyRDFUQBKKOKDARU-UHFFFAOYSA-N
XLogP24.51
TPSA40.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms100
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001278.62
LogP ≤ 524.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

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
9-[3-[3-[2,6-bis[3-(9,9-dimethylfluoren-3-yl)carbazol-9-yl]quinazolin-4-yl]phenyl]phenyl]-3-(9,9-dimethyl-4b,5,6,7,8,8a-hexahydrofluoren-3-yl)carbazole
CID 126632356
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
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
7,7-dimethyl-2-[3-(9-phenylcarbazol-3-yl)phenyl]-5-(4-phenylquinazolin-2-yl)indeno[2,1-b]carbazole
CID 118517262
3-(9,9-dimethylfluoren-3-yl)-9-[4-(4-phenylphenyl)quinazolin-2-yl]carbazole
CID 142356903
2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-(4-phenylquinazolin-2-yl)carbazole
CID 129312343
5-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]-3-(9-phenylcarbazol-3-yl)benzo[b]carbazole
CID 146874125
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-9-phenylcarbazole;3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 159306197
7,7-dimethyl-2-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzo[e]perimidine
CID 147523957
6-carbazol-9-yl-1-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-9-(4-phenylquinazolin-2-yl)carbazole
CID 163594823
5-[3-[4-carbazol-9-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 169014140

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2ccccc2-c2cc(-c3ccc4c5ccccc5n(-c5cccc(-c6nc(-n7c8ccccc8c8ccc(-c9ccc%10c(c9)-c9ccccc9C%10(C)C)cc87)nc7ccc(-n8c9ccccc9c9ccc(-c%10ccc%11c(c%10)-c%10ccccc%10C%11(C)C)cc98)cc67)c5)c4c3)ccc21.
What is the InChIKey of 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?
The InChIKey is RDFUQBKKOKDARU-UHFFFAOYSA-N. The full InChI is InChI=1S/C95H67N5/c1-93(2)78-28-13-7-22-65(78)74-49-56(37-44-81(74)93)59-34-41-71-68-25-10-16-31-85(68)98(88(71)52-59)63-21-19-20-62(48-63)91-77-55-64(99-86-32-17-11-26-69(86)72-42-35-60(53-89(72)99)57-38-45-82-75(50-57)66-23-8-14-29-79(66)94(82,3)4)40-47-84(77)96-92(97-91)100-87-33-18-12-27-70(87)73-43-36-61(54-90(73)100)58-39-46-83-76(51-58)67-24-9-15-30-80(67)95(83,5)6/h7-55H,1-6H3.
What are the key properties of 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?
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 has a molecular weight of 1278.62 g/mol, XLogP of 24.51, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 126632204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).