9-[3-tert-butyl-5-(9-pyridin-2-ylfluoren-9-yl)phenyl]-2-pyrazol-1-ylcarbazole

C43H34N4 — CID 140715673

IUPAC9-[3-tert-butyl-5-(9-pyridin-2-ylfluoren-9-yl)phenyl]-2-pyrazol-1-ylcarbazole
SMILESCC(C)(C)c1cc(-n2c3ccccc3c3ccc(-n4cccn4)cc32)cc(C2(c3ccccn3)c3ccccc3-c3ccccc32)c1
InChIInChI=1S/C43H34N4/c1-42(2,3)29-25-30(43(41-19-10-11-22-44-41)37-16-7-4-13-33(37)34-14-5-8-17-38(34)43)27-32(26-29)47-39-18-9-6-15-35(39)36-21-20-31(28-40(36)47)46-24-12-23-45-46/h4-28H,1-3H3
InChIKeyHOOAOYZBKRJMKX-UHFFFAOYSA-N
MW606.77 g/mol
LogP10.02
Rot. Bonds4

About 9-[3-tert-butyl-5-(9-pyridin-2-ylfluoren-9-yl)phenyl]-2-pyrazol-1-ylcarbazole

9-[3-tert-butyl-5-(9-pyridin-2-ylfluoren-9-yl)phenyl]-2-pyrazol-1-ylcarbazole (PubChem CID 140715673) has the molecular formula C43H34N4 and a molecular weight of 606.77 g/mol. Its IUPAC name is 9-[3-tert-butyl-5-(9-pyridin-2-ylfluoren-9-yl)phenyl]-2-pyrazol-1-ylcarbazole.

Molecular Properties

Compound Name9-[3-tert-butyl-5-(9-pyridin-2-ylfluoren-9-yl)phenyl]-2-pyrazol-1-ylcarbazole
PubChem CID140715673
Molecular FormulaC43H34N4
Molecular Weight606.77 g/mol
Exact Mass606.28
IUPAC Name9-[3-tert-butyl-5-(9-pyridin-2-ylfluoren-9-yl)phenyl]-2-pyrazol-1-ylcarbazole
SMILESCC(C)(C)c1cc(-n2c3ccccc3c3ccc(-n4cccn4)cc32)cc(C2(c3ccccn3)c3ccccc3-c3ccccc32)c1
InChIInChI=1S/C43H34N4/c1-42(2,3)29-25-30(43(41-19-10-11-22-44-41)37-16-7-4-13-33(37)34-14-5-8-17-38(34)43)27-32(26-29)47-39-18-9-6-15-35(39)36-21-20-31(28-40(36)47)46-24-12-23-45-46/h4-28H,1-3H3
InChIKeyHOOAOYZBKRJMKX-UHFFFAOYSA-N
XLogP10.02
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.77
LogP ≤ 510.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenyl]-2-(3-methyl-2H-benzimidazol-1-yl)carbazole
CID 140715589
2-(3,6-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)-9-(3-phenylphenyl)carbazole
CID 140945448
9-[3-(3,6-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenyl]-2-(1-methylimidazol-2-yl)carbazole
CID 140715844
2-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)-9-[3-(1-methylimidazol-2-yl)phenyl]carbazole
CID 140716409
9,9-dimethyl-3-pyrazol-1-yl-10-(9-pyridin-2-ylcarbazol-2-yl)acridine
CID 118539189
2-[9-[3-tert-butyl-5-(3,5-dimethyl-2H-benzimidazol-1-yl)phenyl]fluoren-9-yl]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 155606627
2-[9-[3-tert-butyl-5-[5,6-dimethyl-3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenyl]fluoren-9-yl]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 155606679
10,14-diphenyl-21,21-bis(3-pyrazol-1-ylphenyl)-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 163497985
5,5'-bis(9-phenylcarbazol-2-yl)-7,7'-spirobi[indeno[2,1-b]carbazole]
CID 90337261
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
CID 163791433
CID 163791433
2-[3-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]-7-carbazol-9-yl-9-[4-(9-phenylfluoren-9-yl)-2-pyridinyl]carbazole
CID 172545856

Frequently Asked Questions

What is the IUPAC name of 9-[3-tert-butyl-5-(9-pyridin-2-ylfluoren-9-yl)phenyl]-2-pyrazol-1-ylcarbazole?
The IUPAC name of 9-[3-tert-butyl-5-(9-pyridin-2-ylfluoren-9-yl)phenyl]-2-pyrazol-1-ylcarbazole (CID 140715673) is 9-[3-tert-butyl-5-(9-pyridin-2-ylfluoren-9-yl)phenyl]-2-pyrazol-1-ylcarbazole.
What is the SMILES notation for 9-[3-tert-butyl-5-(9-pyridin-2-ylfluoren-9-yl)phenyl]-2-pyrazol-1-ylcarbazole?
The canonical SMILES for 9-[3-tert-butyl-5-(9-pyridin-2-ylfluoren-9-yl)phenyl]-2-pyrazol-1-ylcarbazole is CC(C)(C)c1cc(-n2c3ccccc3c3ccc(-n4cccn4)cc32)cc(C2(c3ccccn3)c3ccccc3-c3ccccc32)c1.
What is the InChIKey of 9-[3-tert-butyl-5-(9-pyridin-2-ylfluoren-9-yl)phenyl]-2-pyrazol-1-ylcarbazole?
The InChIKey is HOOAOYZBKRJMKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H34N4/c1-42(2,3)29-25-30(43(41-19-10-11-22-44-41)37-16-7-4-13-33(37)34-14-5-8-17-38(34)43)27-32(26-29)47-39-18-9-6-15-35(39)36-21-20-31(28-40(36)47)46-24-12-23-45-46/h4-28H,1-3H3.
What are the key properties of 9-[3-tert-butyl-5-(9-pyridin-2-ylfluoren-9-yl)phenyl]-2-pyrazol-1-ylcarbazole?
9-[3-tert-butyl-5-(9-pyridin-2-ylfluoren-9-yl)phenyl]-2-pyrazol-1-ylcarbazole has a molecular weight of 606.77 g/mol, XLogP of 10.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-tert-butyl-5-(9-pyridin-2-ylfluoren-9-yl)phenyl]-2-pyrazol-1-ylcarbazole is sourced from PubChem (CID 140715673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).