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

C65H64N2 — CID 67331803

IUPAC3,6-ditert-butyl-9-[4-[9-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]fluoren-9-yl]phenyl]carbazole
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(C2(c3ccc(-n4c5ccc(C(C)(C)C)cc5c5cc(C(C)(C)C)ccc54)cc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C65H64N2/c1-61(2,3)43-25-33-57-51(37-43)52-38-44(62(4,5)6)26-34-58(52)66(57)47-29-21-41(22-30-47)65(55-19-15-13-17-49(55)50-18-14-16-20-56(50)65)42-23-31-48(32-24-42)67-59-35-27-45(63(7,8)9)39-53(59)54-40-46(64(10,11)12)28-36-60(54)67/h13-40H,1-12H3
InChIKeyZTGWLODJYMQPIL-UHFFFAOYSA-N
MW873.24 g/mol
LogP17.43
Rot. Bonds4

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

3,6-ditert-butyl-9-[4-[9-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]fluoren-9-yl]phenyl]carbazole (PubChem CID 67331803) has the molecular formula C65H64N2 and a molecular weight of 873.24 g/mol. Its IUPAC name is 3,6-ditert-butyl-9-[4-[9-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]fluoren-9-yl]phenyl]carbazole.

Molecular Properties

Compound Name3,6-ditert-butyl-9-[4-[9-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]fluoren-9-yl]phenyl]carbazole
PubChem CID67331803
Molecular FormulaC65H64N2
Molecular Weight873.24 g/mol
Exact Mass872.51
IUPAC Name3,6-ditert-butyl-9-[4-[9-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]fluoren-9-yl]phenyl]carbazole
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(C2(c3ccc(-n4c5ccc(C(C)(C)C)cc5c5cc(C(C)(C)C)ccc54)cc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C65H64N2/c1-61(2,3)43-25-33-57-51(37-43)52-38-44(62(4,5)6)26-34-58(52)66(57)47-29-21-41(22-30-47)65(55-19-15-13-17-49(55)50-18-14-16-20-56(50)65)42-23-31-48(32-24-42)67-59-35-27-45(63(7,8)9)39-53(59)54-40-46(64(10,11)12)28-36-60(54)67/h13-40H,1-12H3
InChIKeyZTGWLODJYMQPIL-UHFFFAOYSA-N
XLogP17.43
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500873.24
LogP ≤ 517.43
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-(3,6-ditert-butylcarbazol-9-yl)phenyl]fluoren-9-yl]phenyl]carbazole?
The IUPAC name of 3,6-ditert-butyl-9-[4-[9-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]fluoren-9-yl]phenyl]carbazole (CID 67331803) is 3,6-ditert-butyl-9-[4-[9-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]fluoren-9-yl]phenyl]carbazole.
What is the SMILES notation for 3,6-ditert-butyl-9-[4-[9-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]fluoren-9-yl]phenyl]carbazole?
The canonical SMILES for 3,6-ditert-butyl-9-[4-[9-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]fluoren-9-yl]phenyl]carbazole is CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(C2(c3ccc(-n4c5ccc(C(C)(C)C)cc5c5cc(C(C)(C)C)ccc54)cc3)c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of 3,6-ditert-butyl-9-[4-[9-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]fluoren-9-yl]phenyl]carbazole?
The InChIKey is ZTGWLODJYMQPIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H64N2/c1-61(2,3)43-25-33-57-51(37-43)52-38-44(62(4,5)6)26-34-58(52)66(57)47-29-21-41(22-30-47)65(55-19-15-13-17-49(55)50-18-14-16-20-56(50)65)42-23-31-48(32-24-42)67-59-35-27-45(63(7,8)9)39-53(59)54-40-46(64(10,11)12)28-36-60(54)67/h13-40H,1-12H3.
What are the key properties of 3,6-ditert-butyl-9-[4-[9-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]fluoren-9-yl]phenyl]carbazole?
3,6-ditert-butyl-9-[4-[9-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]fluoren-9-yl]phenyl]carbazole has a molecular weight of 873.24 g/mol, XLogP of 17.43, 4 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-(3,6-ditert-butylcarbazol-9-yl)phenyl]fluoren-9-yl]phenyl]carbazole is sourced from PubChem (CID 67331803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).