3,6-ditert-butyl-9-[4-[9-[4-[9-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]fluoren-9-yl]phenyl]fluoren-9-yl]phenyl]carbazole

C84H76N2 — CID 91177168

IUPAC3,6-ditert-butyl-9-[4-[9-[4-[9-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]fluoren-9-yl]phenyl]fluoren-9-yl]phenyl]carbazole
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(C2(c3ccc(C4(c5ccc(-n6c7ccc(C(C)(C)C)cc7c7cc(C(C)(C)C)ccc76)cc5)c5ccccc5-c5ccccc54)cc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C84H76N2/c1-79(2,3)57-37-45-75-67(49-57)68-50-58(80(4,5)6)38-46-76(68)85(75)61-41-33-55(34-42-61)83(71-25-17-13-21-63(71)64-22-14-18-26-72(64)83)53-29-31-54(32-30-53)84(73-27-19-15-23-65(73)66-24-16-20-28-74(66)84)56-35-43-62(44-36-56)86-77-47-39-59(81(7,8)9)51-69(77)70-52-60(82(10,11)12)40-48-78(70)86/h13-52H,1-12H3
InChIKeyFBULNRYCZZLKKQ-UHFFFAOYSA-N
MW1113.55 g/mol
LogP21.80
Rot. Bonds6

About 3,6-ditert-butyl-9-[4-[9-[4-[9-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]fluoren-9-yl]phenyl]fluoren-9-yl]phenyl]carbazole

3,6-ditert-butyl-9-[4-[9-[4-[9-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]fluoren-9-yl]phenyl]fluoren-9-yl]phenyl]carbazole (PubChem CID 91177168) has the molecular formula C84H76N2 and a molecular weight of 1113.55 g/mol. Its IUPAC name is 3,6-ditert-butyl-9-[4-[9-[4-[9-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]fluoren-9-yl]phenyl]fluoren-9-yl]phenyl]carbazole.

Molecular Properties

Compound Name3,6-ditert-butyl-9-[4-[9-[4-[9-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]fluoren-9-yl]phenyl]fluoren-9-yl]phenyl]carbazole
PubChem CID91177168
Molecular FormulaC84H76N2
Molecular Weight1113.55 g/mol
Exact Mass1112.60
IUPAC Name3,6-ditert-butyl-9-[4-[9-[4-[9-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]fluoren-9-yl]phenyl]fluoren-9-yl]phenyl]carbazole
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(C2(c3ccc(C4(c5ccc(-n6c7ccc(C(C)(C)C)cc7c7cc(C(C)(C)C)ccc76)cc5)c5ccccc5-c5ccccc54)cc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C84H76N2/c1-79(2,3)57-37-45-75-67(49-57)68-50-58(80(4,5)6)38-46-76(68)85(75)61-41-33-55(34-42-61)83(71-25-17-13-21-63(71)64-22-14-18-26-72(64)83)53-29-31-54(32-30-53)84(73-27-19-15-23-65(73)66-24-16-20-28-74(66)84)56-35-43-62(44-36-56)86-77-47-39-59(81(7,8)9)51-69(77)70-52-60(82(10,11)12)40-48-78(70)86/h13-52H,1-12H3
InChIKeyFBULNRYCZZLKKQ-UHFFFAOYSA-N
XLogP21.80
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms86
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001113.55
LogP ≤ 521.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,6-ditert-butyl-9-[4-[9-[4-[9-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]fluoren-9-yl]phenyl]fluoren-9-yl]phenyl]carbazole?
The IUPAC name of 3,6-ditert-butyl-9-[4-[9-[4-[9-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]fluoren-9-yl]phenyl]fluoren-9-yl]phenyl]carbazole (CID 91177168) is 3,6-ditert-butyl-9-[4-[9-[4-[9-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]fluoren-9-yl]phenyl]fluoren-9-yl]phenyl]carbazole.
What is the SMILES notation for 3,6-ditert-butyl-9-[4-[9-[4-[9-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]fluoren-9-yl]phenyl]fluoren-9-yl]phenyl]carbazole?
The canonical SMILES for 3,6-ditert-butyl-9-[4-[9-[4-[9-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]fluoren-9-yl]phenyl]fluoren-9-yl]phenyl]carbazole is CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(C2(c3ccc(C4(c5ccc(-n6c7ccc(C(C)(C)C)cc7c7cc(C(C)(C)C)ccc76)cc5)c5ccccc5-c5ccccc54)cc3)c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of 3,6-ditert-butyl-9-[4-[9-[4-[9-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]fluoren-9-yl]phenyl]fluoren-9-yl]phenyl]carbazole?
The InChIKey is FBULNRYCZZLKKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H76N2/c1-79(2,3)57-37-45-75-67(49-57)68-50-58(80(4,5)6)38-46-76(68)85(75)61-41-33-55(34-42-61)83(71-25-17-13-21-63(71)64-22-14-18-26-72(64)83)53-29-31-54(32-30-53)84(73-27-19-15-23-65(73)66-24-16-20-28-74(66)84)56-35-43-62(44-36-56)86-77-47-39-59(81(7,8)9)51-69(77)70-52-60(82(10,11)12)40-48-78(70)86/h13-52H,1-12H3.
What are the key properties of 3,6-ditert-butyl-9-[4-[9-[4-[9-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]fluoren-9-yl]phenyl]fluoren-9-yl]phenyl]carbazole?
3,6-ditert-butyl-9-[4-[9-[4-[9-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]fluoren-9-yl]phenyl]fluoren-9-yl]phenyl]carbazole has a molecular weight of 1113.55 g/mol, XLogP of 21.80, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-ditert-butyl-9-[4-[9-[4-[9-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]fluoren-9-yl]phenyl]fluoren-9-yl]phenyl]carbazole is sourced from PubChem (CID 91177168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).