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

C44H34N4 — CID 161155623

IUPAC9-(4-tert-butyl-2-pyridinyl)-2-[2-(3-phenyl-2-pyridinyl)carbazol-9-yl]carbazole
SMILESCC(C)(C)c1ccnc(-n2c3ccccc3c3ccc(-n4c5ccccc5c5ccc(-c6ncccc6-c6ccccc6)cc54)cc32)c1
InChIInChI=1S/C44H34N4/c1-44(2,3)31-23-25-45-42(27-31)48-39-18-10-8-15-35(39)37-22-20-32(28-41(37)48)47-38-17-9-7-14-34(38)36-21-19-30(26-40(36)47)43-33(16-11-24-46-43)29-12-5-4-6-13-29/h4-28H,1-3H3
InChIKeyCYWLVIVJPDVXMV-UHFFFAOYSA-N
MW618.78 g/mol
LogP11.30
Rot. Bonds4

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

9-(4-tert-butyl-2-pyridinyl)-2-[2-(3-phenyl-2-pyridinyl)carbazol-9-yl]carbazole (PubChem CID 161155623) has the molecular formula C44H34N4 and a molecular weight of 618.78 g/mol. Its IUPAC name is 9-(4-tert-butyl-2-pyridinyl)-2-[2-(3-phenyl-2-pyridinyl)carbazol-9-yl]carbazole.

Molecular Properties

Compound Name9-(4-tert-butyl-2-pyridinyl)-2-[2-(3-phenyl-2-pyridinyl)carbazol-9-yl]carbazole
PubChem CID161155623
Molecular FormulaC44H34N4
Molecular Weight618.78 g/mol
Exact Mass618.28
IUPAC Name9-(4-tert-butyl-2-pyridinyl)-2-[2-(3-phenyl-2-pyridinyl)carbazol-9-yl]carbazole
SMILESCC(C)(C)c1ccnc(-n2c3ccccc3c3ccc(-n4c5ccccc5c5ccc(-c6ncccc6-c6ccccc6)cc54)cc32)c1
InChIInChI=1S/C44H34N4/c1-44(2,3)31-23-25-45-42(27-31)48-39-18-10-8-15-35(39)37-22-20-32(28-41(37)48)47-38-17-9-7-14-34(38)36-21-19-30(26-40(36)47)43-33(16-11-24-46-43)29-12-5-4-6-13-29/h4-28H,1-3H3
InChIKeyCYWLVIVJPDVXMV-UHFFFAOYSA-N
XLogP11.30
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500618.78
LogP ≤ 511.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

20-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]-17-pyridin-2-yl-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14(19),15,17,21,23-dodecaene
CID 163456260
15-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]-18-phenyl-8-oxa-15-azatetracyclo[14.4.0.02,7.09,14]icosa-1(16),2,4,6,9,11,13,17,19-nonaene
CID 176861943
9-(4-tert-butyl-2-pyridinyl)carbazole
CID 141429222
2-phenyl-9-(9-pyridin-2-ylcarbazol-2-yl)carbazole
CID 71478701
2-tert-butyl-9-(4-phenylphenyl)carbazole
CID 122692449
9-[3-[3-[2-(3-carbazol-9-ylphenyl)-3-pyridinyl]-2-pyridinyl]phenyl]carbazole
CID 122433877
3,6-ditert-butyl-9-[3-[3-[2-[3-(3,6-ditert-butylcarbazol-9-yl)phenyl]-3-pyridinyl]-2-pyridinyl]phenyl]carbazole
CID 122433856
2-[9-[3-[3-(4-phenylphenyl)-2-pyridinyl]phenyl]carbazol-2-yl]-1,3-benzothiazole
CID 153285461
2-[4-(4-tert-butylphenyl)-6-chloro-1,3,5-triazin-2-yl]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 164786555
[3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]phenyl]-methyl-(4-methyl-2-pyridinyl)phosphane
CID 157440294
4-tert-butyl-8-[2-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]phenyl]-[1]benzofuro[3,2-b]pyridine
CID 170521788
9-(4-tert-butyl-2-pyridinyl)-2-[[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]-bis[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenyl]methyl]carbazole
CID 176645144

Frequently Asked Questions

What is the IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[2-(3-phenyl-2-pyridinyl)carbazol-9-yl]carbazole?
The IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[2-(3-phenyl-2-pyridinyl)carbazol-9-yl]carbazole (CID 161155623) is 9-(4-tert-butyl-2-pyridinyl)-2-[2-(3-phenyl-2-pyridinyl)carbazol-9-yl]carbazole.
What is the SMILES notation for 9-(4-tert-butyl-2-pyridinyl)-2-[2-(3-phenyl-2-pyridinyl)carbazol-9-yl]carbazole?
The canonical SMILES for 9-(4-tert-butyl-2-pyridinyl)-2-[2-(3-phenyl-2-pyridinyl)carbazol-9-yl]carbazole is CC(C)(C)c1ccnc(-n2c3ccccc3c3ccc(-n4c5ccccc5c5ccc(-c6ncccc6-c6ccccc6)cc54)cc32)c1.
What is the InChIKey of 9-(4-tert-butyl-2-pyridinyl)-2-[2-(3-phenyl-2-pyridinyl)carbazol-9-yl]carbazole?
The InChIKey is CYWLVIVJPDVXMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H34N4/c1-44(2,3)31-23-25-45-42(27-31)48-39-18-10-8-15-35(39)37-22-20-32(28-41(37)48)47-38-17-9-7-14-34(38)36-21-19-30(26-40(36)47)43-33(16-11-24-46-43)29-12-5-4-6-13-29/h4-28H,1-3H3.
What are the key properties of 9-(4-tert-butyl-2-pyridinyl)-2-[2-(3-phenyl-2-pyridinyl)carbazol-9-yl]carbazole?
9-(4-tert-butyl-2-pyridinyl)-2-[2-(3-phenyl-2-pyridinyl)carbazol-9-yl]carbazole has a molecular weight of 618.78 g/mol, XLogP of 11.30, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-tert-butyl-2-pyridinyl)-2-[2-(3-phenyl-2-pyridinyl)carbazol-9-yl]carbazole is sourced from PubChem (CID 161155623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).