2,7-ditert-butyl-9-[7-tert-butyl-9-[4-[2-[4-[2-tert-butyl-6-(2,7-ditert-butylcarbazol-9-yl)carbazol-9-yl]phenyl]propan-2-yl]phenyl]carbazol-3-yl]carbazole

C87H92N4 — CID 176617143

IUPAC2,7-ditert-butyl-9-[7-tert-butyl-9-[4-[2-[4-[2-tert-butyl-6-(2,7-ditert-butylcarbazol-9-yl)carbazol-9-yl]phenyl]propan-2-yl]phenyl]carbazol-3-yl]carbazole
SMILESCC(C)(C)c1ccc2c3cc(-n4c5cc(C(C)(C)C)ccc5c5ccc(C(C)(C)C)cc54)ccc3n(-c3ccc(C(C)(C)c4ccc(-n5c6ccc(-n7c8cc(C(C)(C)C)ccc8c8ccc(C(C)(C)C)cc87)cc6c6ccc(C(C)(C)C)cc65)cc4)cc3)c2c1
InChIInChI=1S/C87H92N4/c1-81(2,3)55-25-37-65-66-38-26-56(82(4,5)6)46-76(66)90(75(65)45-55)63-35-43-73-71(51-63)69-41-29-59(85(13,14)15)49-79(69)88(73)61-31-21-53(22-32-61)87(19,20)54-23-33-62(34-24-54)89-74-44-36-64(52-72(74)70-42-30-60(50-80(70)89)86(16,17)18)91-77-47-57(83(7,8)9)27-39-67(77)68-40-28-58(48-78(68)91)84(10,11)12/h21-52H,1-20H3
InChIKeyZQEKNQKZFQLJFC-UHFFFAOYSA-N
MW1193.72 g/mol
LogP24.19
Rot. Bonds6

About 2,7-ditert-butyl-9-[7-tert-butyl-9-[4-[2-[4-[2-tert-butyl-6-(2,7-ditert-butylcarbazol-9-yl)carbazol-9-yl]phenyl]propan-2-yl]phenyl]carbazol-3-yl]carbazole

2,7-ditert-butyl-9-[7-tert-butyl-9-[4-[2-[4-[2-tert-butyl-6-(2,7-ditert-butylcarbazol-9-yl)carbazol-9-yl]phenyl]propan-2-yl]phenyl]carbazol-3-yl]carbazole (PubChem CID 176617143) has the molecular formula C87H92N4 and a molecular weight of 1193.72 g/mol. Its IUPAC name is 2,7-ditert-butyl-9-[7-tert-butyl-9-[4-[2-[4-[2-tert-butyl-6-(2,7-ditert-butylcarbazol-9-yl)carbazol-9-yl]phenyl]propan-2-yl]phenyl]carbazol-3-yl]carbazole.

Molecular Properties

Compound Name2,7-ditert-butyl-9-[7-tert-butyl-9-[4-[2-[4-[2-tert-butyl-6-(2,7-ditert-butylcarbazol-9-yl)carbazol-9-yl]phenyl]propan-2-yl]phenyl]carbazol-3-yl]carbazole
PubChem CID176617143
Molecular FormulaC87H92N4
Molecular Weight1193.72 g/mol
Exact Mass1192.73
IUPAC Name2,7-ditert-butyl-9-[7-tert-butyl-9-[4-[2-[4-[2-tert-butyl-6-(2,7-ditert-butylcarbazol-9-yl)carbazol-9-yl]phenyl]propan-2-yl]phenyl]carbazol-3-yl]carbazole
SMILESCC(C)(C)c1ccc2c3cc(-n4c5cc(C(C)(C)C)ccc5c5ccc(C(C)(C)C)cc54)ccc3n(-c3ccc(C(C)(C)c4ccc(-n5c6ccc(-n7c8cc(C(C)(C)C)ccc8c8ccc(C(C)(C)C)cc87)cc6c6ccc(C(C)(C)C)cc65)cc4)cc3)c2c1
InChIInChI=1S/C87H92N4/c1-81(2,3)55-25-37-65-66-38-26-56(82(4,5)6)46-76(66)90(75(65)45-55)63-35-43-73-71(51-63)69-41-29-59(85(13,14)15)49-79(69)88(73)61-31-21-53(22-32-61)87(19,20)54-23-33-62(34-24-54)89-74-44-36-64(52-72(74)70-42-30-60(50-80(70)89)86(16,17)18)91-77-47-57(83(7,8)9)27-39-67(77)68-40-28-58(48-78(68)91)84(10,11)12/h21-52H,1-20H3
InChIKeyZQEKNQKZFQLJFC-UHFFFAOYSA-N
XLogP24.19
TPSA19.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms91
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001193.72
LogP ≤ 524.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2,7-ditert-butyl-9-[7-tert-butyl-9-[4-[2-[4-[2-tert-butyl-6-(2,7-ditert-butylcarbazol-9-yl)carbazol-9-yl]phenyl]propan-2-yl]phenyl]carbazol-3-yl]carbazole with MolForge

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Related Compounds

2,7-bis(3,6-ditert-butylcarbazol-9-yl)-9-(9-phenylcarbazol-3-yl)carbazole
CID 121355698
2-tert-butyl-9-phenylcarbazole;3-tert-butyl-9-phenylcarbazole;3-tert-butyl-9-(9-phenylcarbazol-3-yl)carbazole;9-(4-tert-butylphenyl)-3-carbazol-9-ylcarbazole;3-tert-butyl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 159742903
3-(3-tert-butylcarbazol-9-yl)-6-carbazol-9-yl-9-phenylcarbazole
CID 59399314
6,20-bis(3,6-ditert-butylcarbazol-9-yl)-10,16-diphenyl-10,16-diazahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene
CID 146666361
9-(4-bromophenyl)-2-tert-butylcarbazole
CID 142745661
2-tert-butyl-9-(4-phenylphenyl)carbazole
CID 122692449
3,6-bis(3,6-dimethylcarbazol-9-yl)-9-[4-(2-phenylpropan-2-yl)phenyl]carbazole
CID 162480016
4-[3,6-bis[3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]carbazol-9-yl]benzaldehyde
CID 24808308
3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9-[2,4,6-tris(2-phenylpropan-2-yl)phenyl]carbazol-3-yl]carbazole
CID 162480082
9-(4-bromophenyl)-3,6-ditert-butylcarbazole
CID 139082644
3-(9-phenylcarbazol-3-yl)-9-[4-[2-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]propan-2-yl]phenyl]carbazole
CID 176617175
2-tert-butyl-7-(2-methylsulfanylpropan-2-yl)-9-phenylcarbazole
CID 170187898

Frequently Asked Questions

What is the IUPAC name of 2,7-ditert-butyl-9-[7-tert-butyl-9-[4-[2-[4-[2-tert-butyl-6-(2,7-ditert-butylcarbazol-9-yl)carbazol-9-yl]phenyl]propan-2-yl]phenyl]carbazol-3-yl]carbazole?
The IUPAC name of 2,7-ditert-butyl-9-[7-tert-butyl-9-[4-[2-[4-[2-tert-butyl-6-(2,7-ditert-butylcarbazol-9-yl)carbazol-9-yl]phenyl]propan-2-yl]phenyl]carbazol-3-yl]carbazole (CID 176617143) is 2,7-ditert-butyl-9-[7-tert-butyl-9-[4-[2-[4-[2-tert-butyl-6-(2,7-ditert-butylcarbazol-9-yl)carbazol-9-yl]phenyl]propan-2-yl]phenyl]carbazol-3-yl]carbazole.
What is the SMILES notation for 2,7-ditert-butyl-9-[7-tert-butyl-9-[4-[2-[4-[2-tert-butyl-6-(2,7-ditert-butylcarbazol-9-yl)carbazol-9-yl]phenyl]propan-2-yl]phenyl]carbazol-3-yl]carbazole?
The canonical SMILES for 2,7-ditert-butyl-9-[7-tert-butyl-9-[4-[2-[4-[2-tert-butyl-6-(2,7-ditert-butylcarbazol-9-yl)carbazol-9-yl]phenyl]propan-2-yl]phenyl]carbazol-3-yl]carbazole is CC(C)(C)c1ccc2c3cc(-n4c5cc(C(C)(C)C)ccc5c5ccc(C(C)(C)C)cc54)ccc3n(-c3ccc(C(C)(C)c4ccc(-n5c6ccc(-n7c8cc(C(C)(C)C)ccc8c8ccc(C(C)(C)C)cc87)cc6c6ccc(C(C)(C)C)cc65)cc4)cc3)c2c1.
What is the InChIKey of 2,7-ditert-butyl-9-[7-tert-butyl-9-[4-[2-[4-[2-tert-butyl-6-(2,7-ditert-butylcarbazol-9-yl)carbazol-9-yl]phenyl]propan-2-yl]phenyl]carbazol-3-yl]carbazole?
The InChIKey is ZQEKNQKZFQLJFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C87H92N4/c1-81(2,3)55-25-37-65-66-38-26-56(82(4,5)6)46-76(66)90(75(65)45-55)63-35-43-73-71(51-63)69-41-29-59(85(13,14)15)49-79(69)88(73)61-31-21-53(22-32-61)87(19,20)54-23-33-62(34-24-54)89-74-44-36-64(52-72(74)70-42-30-60(50-80(70)89)86(16,17)18)91-77-47-57(83(7,8)9)27-39-67(77)68-40-28-58(48-78(68)91)84(10,11)12/h21-52H,1-20H3.
What are the key properties of 2,7-ditert-butyl-9-[7-tert-butyl-9-[4-[2-[4-[2-tert-butyl-6-(2,7-ditert-butylcarbazol-9-yl)carbazol-9-yl]phenyl]propan-2-yl]phenyl]carbazol-3-yl]carbazole?
2,7-ditert-butyl-9-[7-tert-butyl-9-[4-[2-[4-[2-tert-butyl-6-(2,7-ditert-butylcarbazol-9-yl)carbazol-9-yl]phenyl]propan-2-yl]phenyl]carbazol-3-yl]carbazole has a molecular weight of 1193.72 g/mol, XLogP of 24.19, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-ditert-butyl-9-[7-tert-butyl-9-[4-[2-[4-[2-tert-butyl-6-(2,7-ditert-butylcarbazol-9-yl)carbazol-9-yl]phenyl]propan-2-yl]phenyl]carbazol-3-yl]carbazole is sourced from PubChem (CID 176617143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).