9-(4-tert-butylphenyl)-3,6-bis[9-(4-methoxyphenyl)fluoren-9-yl]carbazole

C62H49NO2 — CID 53401213

IUPAC9-(4-tert-butylphenyl)-3,6-bis[9-(4-methoxyphenyl)fluoren-9-yl]carbazole
SMILESCOc1ccc(C2(c3ccc4c(c3)c3cc(C5(c6ccc(OC)cc6)c6ccccc6-c6ccccc65)ccc3n4-c3ccc(C(C)(C)C)cc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C62H49NO2/c1-60(2,3)40-22-30-45(31-23-40)63-58-36-28-43(61(41-24-32-46(64-4)33-25-41)54-18-10-6-14-48(54)49-15-7-11-19-55(49)61)38-52(58)53-39-44(29-37-59(53)63)62(42-26-34-47(65-5)35-27-42)56-20-12-8-16-50(56)51-17-9-13-21-57(51)62/h6-39H,1-5H3
InChIKeyRIFLTHUXOHHZQV-UHFFFAOYSA-N
MW840.08 g/mol
LogP14.82
Rot. Bonds7

About 9-(4-tert-butylphenyl)-3,6-bis[9-(4-methoxyphenyl)fluoren-9-yl]carbazole

9-(4-tert-butylphenyl)-3,6-bis[9-(4-methoxyphenyl)fluoren-9-yl]carbazole (PubChem CID 53401213) has the molecular formula C62H49NO2 and a molecular weight of 840.08 g/mol. Its IUPAC name is 9-(4-tert-butylphenyl)-3,6-bis[9-(4-methoxyphenyl)fluoren-9-yl]carbazole.

Molecular Properties

Compound Name9-(4-tert-butylphenyl)-3,6-bis[9-(4-methoxyphenyl)fluoren-9-yl]carbazole
PubChem CID53401213
Molecular FormulaC62H49NO2
Molecular Weight840.08 g/mol
Exact Mass839.38
IUPAC Name9-(4-tert-butylphenyl)-3,6-bis[9-(4-methoxyphenyl)fluoren-9-yl]carbazole
SMILESCOc1ccc(C2(c3ccc4c(c3)c3cc(C5(c6ccc(OC)cc6)c6ccccc6-c6ccccc65)ccc3n4-c3ccc(C(C)(C)C)cc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C62H49NO2/c1-60(2,3)40-22-30-45(31-23-40)63-58-36-28-43(61(41-24-32-46(64-4)33-25-41)54-18-10-6-14-48(54)49-15-7-11-19-55(49)61)38-52(58)53-39-44(29-37-59(53)63)62(42-26-34-47(65-5)35-27-42)56-20-12-8-16-50(56)51-17-9-13-21-57(51)62/h6-39H,1-5H3
InChIKeyRIFLTHUXOHHZQV-UHFFFAOYSA-N
XLogP14.82
TPSA23.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500840.08
LogP ≤ 514.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-(4-tert-butylphenyl)-3,6-bis[9-(4-methoxyphenyl)fluoren-9-yl]carbazole?
The IUPAC name of 9-(4-tert-butylphenyl)-3,6-bis[9-(4-methoxyphenyl)fluoren-9-yl]carbazole (CID 53401213) is 9-(4-tert-butylphenyl)-3,6-bis[9-(4-methoxyphenyl)fluoren-9-yl]carbazole.
What is the SMILES notation for 9-(4-tert-butylphenyl)-3,6-bis[9-(4-methoxyphenyl)fluoren-9-yl]carbazole?
The canonical SMILES for 9-(4-tert-butylphenyl)-3,6-bis[9-(4-methoxyphenyl)fluoren-9-yl]carbazole is COc1ccc(C2(c3ccc4c(c3)c3cc(C5(c6ccc(OC)cc6)c6ccccc6-c6ccccc65)ccc3n4-c3ccc(C(C)(C)C)cc3)c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of 9-(4-tert-butylphenyl)-3,6-bis[9-(4-methoxyphenyl)fluoren-9-yl]carbazole?
The InChIKey is RIFLTHUXOHHZQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H49NO2/c1-60(2,3)40-22-30-45(31-23-40)63-58-36-28-43(61(41-24-32-46(64-4)33-25-41)54-18-10-6-14-48(54)49-15-7-11-19-55(49)61)38-52(58)53-39-44(29-37-59(53)63)62(42-26-34-47(65-5)35-27-42)56-20-12-8-16-50(56)51-17-9-13-21-57(51)62/h6-39H,1-5H3.
What are the key properties of 9-(4-tert-butylphenyl)-3,6-bis[9-(4-methoxyphenyl)fluoren-9-yl]carbazole?
9-(4-tert-butylphenyl)-3,6-bis[9-(4-methoxyphenyl)fluoren-9-yl]carbazole has a molecular weight of 840.08 g/mol, XLogP of 14.82, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-tert-butylphenyl)-3,6-bis[9-(4-methoxyphenyl)fluoren-9-yl]carbazole is sourced from PubChem (CID 53401213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).