3-tert-butyl-9-[4-tert-butyl-3-[6-[2-[2-tert-butyl-4-(3-phenylcarbazol-9-yl)phenyl]-4-pyridinyl]-2-pyridinyl]phenyl]carbazole

C64H58N4 — CID 123277153

IUPAC3-tert-butyl-9-[4-tert-butyl-3-[6-[2-[2-tert-butyl-4-(3-phenylcarbazol-9-yl)phenyl]-4-pyridinyl]-2-pyridinyl]phenyl]carbazole
SMILESCC(C)(C)c1ccc2c(c1)c1ccccc1n2-c1ccc(C(C)(C)C)c(-c2cccc(-c3ccnc(-c4ccc(-n5c6ccccc6c6cc(-c7ccccc7)ccc65)cc4C(C)(C)C)c3)n2)c1
InChIInChI=1S/C64H58N4/c1-62(2,3)44-27-33-61-51(38-44)48-21-14-16-25-59(48)67(61)45-29-31-53(63(4,5)6)52(39-45)56-23-17-22-55(66-56)43-34-35-65-57(37-43)49-30-28-46(40-54(49)64(7,8)9)68-58-24-15-13-20-47(58)50-36-42(26-32-60(50)68)41-18-11-10-12-19-41/h10-40H,1-9H3
InChIKeyUONFPMVAADYVQC-UHFFFAOYSA-N
MW883.20 g/mol
LogP17.23
Rot. Bonds6

About 3-tert-butyl-9-[4-tert-butyl-3-[6-[2-[2-tert-butyl-4-(3-phenylcarbazol-9-yl)phenyl]-4-pyridinyl]-2-pyridinyl]phenyl]carbazole

3-tert-butyl-9-[4-tert-butyl-3-[6-[2-[2-tert-butyl-4-(3-phenylcarbazol-9-yl)phenyl]-4-pyridinyl]-2-pyridinyl]phenyl]carbazole (PubChem CID 123277153) has the molecular formula C64H58N4 and a molecular weight of 883.20 g/mol. Its IUPAC name is 3-tert-butyl-9-[4-tert-butyl-3-[6-[2-[2-tert-butyl-4-(3-phenylcarbazol-9-yl)phenyl]-4-pyridinyl]-2-pyridinyl]phenyl]carbazole.

Molecular Properties

Compound Name3-tert-butyl-9-[4-tert-butyl-3-[6-[2-[2-tert-butyl-4-(3-phenylcarbazol-9-yl)phenyl]-4-pyridinyl]-2-pyridinyl]phenyl]carbazole
PubChem CID123277153
Molecular FormulaC64H58N4
Molecular Weight883.20 g/mol
Exact Mass882.47
IUPAC Name3-tert-butyl-9-[4-tert-butyl-3-[6-[2-[2-tert-butyl-4-(3-phenylcarbazol-9-yl)phenyl]-4-pyridinyl]-2-pyridinyl]phenyl]carbazole
SMILESCC(C)(C)c1ccc2c(c1)c1ccccc1n2-c1ccc(C(C)(C)C)c(-c2cccc(-c3ccnc(-c4ccc(-n5c6ccccc6c6cc(-c7ccccc7)ccc65)cc4C(C)(C)C)c3)n2)c1
InChIInChI=1S/C64H58N4/c1-62(2,3)44-27-33-61-51(38-44)48-21-14-16-25-59(48)67(61)45-29-31-53(63(4,5)6)52(39-45)56-23-17-22-55(66-56)43-34-35-65-57(37-43)49-30-28-46(40-54(49)64(7,8)9)68-58-24-15-13-20-47(58)50-36-42(26-32-60(50)68)41-18-11-10-12-19-41/h10-40H,1-9H3
InChIKeyUONFPMVAADYVQC-UHFFFAOYSA-N
XLogP17.23
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500883.20
LogP ≤ 517.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-tert-butyl-9-[2-(4-tert-butylphenyl)-4-pyridinyl]-6-phenylcarbazole
CID 140803296
3-[2-[4-(4-carbazol-9-ylphenyl)-2-pyridinyl]-4-pyridinyl]-9-phenylcarbazole
CID 130326868
3-(4-tert-butylphenyl)-9-[2-(4-tert-butylphenyl)-4-pyridinyl]-6-phenylcarbazole
CID 140803300
3,6-ditert-butyl-9-[6-[6-[6-[3-tert-butyl-6-(4-tert-butylphenyl)carbazol-9-yl]-2-pyridinyl]-4-(6-phenyl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]carbazole
CID 166019339
3-tert-butyl-6-[4-[3-[4-(6-tert-butyl-9-phenylcarbazol-3-yl)phenyl]quinoxalin-2-yl]phenyl]-9-phenylcarbazole;9-(4-phenylphenyl)-3-[4-[3-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]quinoxalin-2-yl]phenyl]carbazole
CID 159534786
3,6-bis(2,6-diphenyl-4-pyridinyl)-9-phenylcarbazole;3,6-ditert-butyl-9-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazole;9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3,6-diphenylcarbazole
CID 159534623
9-phenyl-3-[6-(9-phenylcarbazol-3-yl)-2-pyridinyl]carbazole
CID 58750690
3-(9-phenylcarbazol-3-yl)-9-[3-(6-phenyl-4-pyridin-4-yl-2-pyridinyl)phenyl]carbazole
CID 144537302
9-[3-methyl-4-[6-[5-[2-methyl-5-(3-phenylcarbazol-9-yl)phenyl]-3-pyridinyl]-2-pyridinyl]phenyl]-3-phenylcarbazole
CID 123834159
3-[9-[3-[3-(4-tert-butylphenyl)phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 167259635
2-[4-(3,5-ditert-butylphenyl)-6-[3-[4-[9-(2,6-dimethyl-4-pyridinyl)carbazol-3-yl]-2-pyridinyl]phenyl]-2-pyridinyl]phenol
CID 170542380
9-(3-carbazol-9-ylphenyl)-3-(3-pyridin-2-ylphenyl)carbazole
CID 71277989

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-9-[4-tert-butyl-3-[6-[2-[2-tert-butyl-4-(3-phenylcarbazol-9-yl)phenyl]-4-pyridinyl]-2-pyridinyl]phenyl]carbazole?
The IUPAC name of 3-tert-butyl-9-[4-tert-butyl-3-[6-[2-[2-tert-butyl-4-(3-phenylcarbazol-9-yl)phenyl]-4-pyridinyl]-2-pyridinyl]phenyl]carbazole (CID 123277153) is 3-tert-butyl-9-[4-tert-butyl-3-[6-[2-[2-tert-butyl-4-(3-phenylcarbazol-9-yl)phenyl]-4-pyridinyl]-2-pyridinyl]phenyl]carbazole.
What is the SMILES notation for 3-tert-butyl-9-[4-tert-butyl-3-[6-[2-[2-tert-butyl-4-(3-phenylcarbazol-9-yl)phenyl]-4-pyridinyl]-2-pyridinyl]phenyl]carbazole?
The canonical SMILES for 3-tert-butyl-9-[4-tert-butyl-3-[6-[2-[2-tert-butyl-4-(3-phenylcarbazol-9-yl)phenyl]-4-pyridinyl]-2-pyridinyl]phenyl]carbazole is CC(C)(C)c1ccc2c(c1)c1ccccc1n2-c1ccc(C(C)(C)C)c(-c2cccc(-c3ccnc(-c4ccc(-n5c6ccccc6c6cc(-c7ccccc7)ccc65)cc4C(C)(C)C)c3)n2)c1.
What is the InChIKey of 3-tert-butyl-9-[4-tert-butyl-3-[6-[2-[2-tert-butyl-4-(3-phenylcarbazol-9-yl)phenyl]-4-pyridinyl]-2-pyridinyl]phenyl]carbazole?
The InChIKey is UONFPMVAADYVQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H58N4/c1-62(2,3)44-27-33-61-51(38-44)48-21-14-16-25-59(48)67(61)45-29-31-53(63(4,5)6)52(39-45)56-23-17-22-55(66-56)43-34-35-65-57(37-43)49-30-28-46(40-54(49)64(7,8)9)68-58-24-15-13-20-47(58)50-36-42(26-32-60(50)68)41-18-11-10-12-19-41/h10-40H,1-9H3.
What are the key properties of 3-tert-butyl-9-[4-tert-butyl-3-[6-[2-[2-tert-butyl-4-(3-phenylcarbazol-9-yl)phenyl]-4-pyridinyl]-2-pyridinyl]phenyl]carbazole?
3-tert-butyl-9-[4-tert-butyl-3-[6-[2-[2-tert-butyl-4-(3-phenylcarbazol-9-yl)phenyl]-4-pyridinyl]-2-pyridinyl]phenyl]carbazole has a molecular weight of 883.20 g/mol, XLogP of 17.23, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-9-[4-tert-butyl-3-[6-[2-[2-tert-butyl-4-(3-phenylcarbazol-9-yl)phenyl]-4-pyridinyl]-2-pyridinyl]phenyl]carbazole is sourced from PubChem (CID 123277153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).