bis(tert-butylbenzene);1-tert-butyl-4-phenylbenzene;2-tert-butyl-6-phenylpyridine;9-(5-tert-butyl-2-pyridinyl)carbazole;9-(6-tert-butyl-2-pyridinyl)carbazole

C93H103N5 — CID 158923617

IUPACbis(tert-butylbenzene);1-tert-butyl-4-phenylbenzene;2-tert-butyl-6-phenylpyridine;9-(5-tert-butyl-2-pyridinyl)carbazole;9-(6-tert-butyl-2-pyridinyl)carbazole
SMILESCC(C)(C)c1ccc(-c2ccccc2)cc1.CC(C)(C)c1ccc(-n2c3ccccc3c3ccccc32)nc1.CC(C)(C)c1cccc(-c2ccccc2)n1.CC(C)(C)c1cccc(-n2c3ccccc3c3ccccc32)n1.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccc1
InChIInChI=1S/2C21H20N2.C16H18.C15H17N.2C10H14/c1-21(2,3)19-13-8-14-20(22-19)23-17-11-6-4-9-15(17)16-10-5-7-12-18(16)23;1-21(2,3)15-12-13-20(22-14-15)23-18-10-6-4-8-16(18)17-9-5-7-11-19(17)23;1-16(2,3)15-11-9-14(10-12-15)13-7-5-4-6-8-13;1-15(2,3)14-11-7-10-13(16-14)12-8-5-4-6-9-12;2*1-10(2,3)9-7-5-4-6-8-9/h2*4-14H,1-3H3;4-12H,1-3H3;4-11H,1-3H3;2*4-8H,1-3H3
InChIKeyJIDPVBQDHZPKOK-UHFFFAOYSA-N
MW1290.88 g/mol
LogP25.62
Rot. Bonds4

About bis(tert-butylbenzene);1-tert-butyl-4-phenylbenzene;2-tert-butyl-6-phenylpyridine;9-(5-tert-butyl-2-pyridinyl)carbazole;9-(6-tert-butyl-2-pyridinyl)carbazole

bis(tert-butylbenzene);1-tert-butyl-4-phenylbenzene;2-tert-butyl-6-phenylpyridine;9-(5-tert-butyl-2-pyridinyl)carbazole;9-(6-tert-butyl-2-pyridinyl)carbazole (PubChem CID 158923617) has the molecular formula C93H103N5 and a molecular weight of 1290.88 g/mol. Its IUPAC name is bis(tert-butylbenzene);1-tert-butyl-4-phenylbenzene;2-tert-butyl-6-phenylpyridine;9-(5-tert-butyl-2-pyridinyl)carbazole;9-(6-tert-butyl-2-pyridinyl)carbazole.

Molecular Properties

Compound Namebis(tert-butylbenzene);1-tert-butyl-4-phenylbenzene;2-tert-butyl-6-phenylpyridine;9-(5-tert-butyl-2-pyridinyl)carbazole;9-(6-tert-butyl-2-pyridinyl)carbazole
PubChem CID158923617
Molecular FormulaC93H103N5
Molecular Weight1290.88 g/mol
Exact Mass1289.82
IUPAC Namebis(tert-butylbenzene);1-tert-butyl-4-phenylbenzene;2-tert-butyl-6-phenylpyridine;9-(5-tert-butyl-2-pyridinyl)carbazole;9-(6-tert-butyl-2-pyridinyl)carbazole
SMILESCC(C)(C)c1ccc(-c2ccccc2)cc1.CC(C)(C)c1ccc(-n2c3ccccc3c3ccccc32)nc1.CC(C)(C)c1cccc(-c2ccccc2)n1.CC(C)(C)c1cccc(-n2c3ccccc3c3ccccc32)n1.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccc1
InChIInChI=1S/2C21H20N2.C16H18.C15H17N.2C10H14/c1-21(2,3)19-13-8-14-20(22-19)23-17-11-6-4-9-15(17)16-10-5-7-12-18(16)23;1-21(2,3)15-12-13-20(22-14-15)23-18-10-6-4-8-16(18)17-9-5-7-11-19(17)23;1-16(2,3)15-11-9-14(10-12-15)13-7-5-4-6-8-13;1-15(2,3)14-11-7-10-13(16-14)12-8-5-4-6-9-12;2*1-10(2,3)9-7-5-4-6-8-9/h2*4-14H,1-3H3;4-12H,1-3H3;4-11H,1-3H3;2*4-8H,1-3H3
InChIKeyJIDPVBQDHZPKOK-UHFFFAOYSA-N
XLogP25.62
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms98
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001290.88
LogP ≤ 525.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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
9-[6-[bis(3-tert-butylphenyl)-(6-carbazol-9-yl-2-pyridinyl)methyl]-2-pyridinyl]carbazole
CID 140715626
5,7-bis(6-phenyl-2-pyridinyl)indolo[2,3-b]carbazole
CID 58038356
9-[6-[(6-carbazol-9-yl-2-pyridinyl)-bis(3,5-ditert-butylphenyl)methyl]-2-pyridinyl]carbazole
CID 140716189
9-[6-[6-(4-phenylphenyl)-2-pyridinyl]-2-pyridinyl]pyrido[3,4-b]indole
CID 59480347
5,7-bis[6-(6-phenyl-2-pyridinyl)-2-pyridinyl]indolo[2,3-b]carbazole
CID 58570110
5-phenyl-11-(6-phenyl-2-pyridinyl)indolo[3,2-b]carbazole
CID 58570053
3-[3-(9-phenylcarbazol-3-yl)phenyl]-9-(6-phenyl-2-pyridinyl)carbazole
CID 126764108
5-(6-phenyl-2-pyridinyl)-11-(6-pyridin-2-yl-2-pyridinyl)indolo[3,2-b]carbazole
CID 118504611
23-(4,6-diphenyl-1,3,5-triazin-2-yl)-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene;23-(6-phenyl-2-pyridinyl)-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene;23-(5-pyridin-2-yl-2-pyridinyl)-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene
CID 157323659
23-(4,6-diphenyl-1,3,5-triazin-2-yl)-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene;23-(6-phenyl-2-pyridinyl)-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene;23-pyridin-2-yl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene;23-(5-pyridin-2-yl-2-pyridinyl)-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene
CID 158709470
11-phenyl-12-[6-(4-phenylphenyl)-2-pyridinyl]indolo[2,3-a]carbazole
CID 134240187

Frequently Asked Questions

What is the IUPAC name of bis(tert-butylbenzene);1-tert-butyl-4-phenylbenzene;2-tert-butyl-6-phenylpyridine;9-(5-tert-butyl-2-pyridinyl)carbazole;9-(6-tert-butyl-2-pyridinyl)carbazole?
The IUPAC name of bis(tert-butylbenzene);1-tert-butyl-4-phenylbenzene;2-tert-butyl-6-phenylpyridine;9-(5-tert-butyl-2-pyridinyl)carbazole;9-(6-tert-butyl-2-pyridinyl)carbazole (CID 158923617) is bis(tert-butylbenzene);1-tert-butyl-4-phenylbenzene;2-tert-butyl-6-phenylpyridine;9-(5-tert-butyl-2-pyridinyl)carbazole;9-(6-tert-butyl-2-pyridinyl)carbazole.
What is the SMILES notation for bis(tert-butylbenzene);1-tert-butyl-4-phenylbenzene;2-tert-butyl-6-phenylpyridine;9-(5-tert-butyl-2-pyridinyl)carbazole;9-(6-tert-butyl-2-pyridinyl)carbazole?
The canonical SMILES for bis(tert-butylbenzene);1-tert-butyl-4-phenylbenzene;2-tert-butyl-6-phenylpyridine;9-(5-tert-butyl-2-pyridinyl)carbazole;9-(6-tert-butyl-2-pyridinyl)carbazole is CC(C)(C)c1ccc(-c2ccccc2)cc1.CC(C)(C)c1ccc(-n2c3ccccc3c3ccccc32)nc1.CC(C)(C)c1cccc(-c2ccccc2)n1.CC(C)(C)c1cccc(-n2c3ccccc3c3ccccc32)n1.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccc1.
What is the InChIKey of bis(tert-butylbenzene);1-tert-butyl-4-phenylbenzene;2-tert-butyl-6-phenylpyridine;9-(5-tert-butyl-2-pyridinyl)carbazole;9-(6-tert-butyl-2-pyridinyl)carbazole?
The InChIKey is JIDPVBQDHZPKOK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H20N2.C16H18.C15H17N.2C10H14/c1-21(2,3)19-13-8-14-20(22-19)23-17-11-6-4-9-15(17)16-10-5-7-12-18(16)23;1-21(2,3)15-12-13-20(22-14-15)23-18-10-6-4-8-16(18)17-9-5-7-11-19(17)23;1-16(2,3)15-11-9-14(10-12-15)13-7-5-4-6-8-13;1-15(2,3)14-11-7-10-13(16-14)12-8-5-4-6-9-12;2*1-10(2,3)9-7-5-4-6-8-9/h2*4-14H,1-3H3;4-12H,1-3H3;4-11H,1-3H3;2*4-8H,1-3H3.
What are the key properties of bis(tert-butylbenzene);1-tert-butyl-4-phenylbenzene;2-tert-butyl-6-phenylpyridine;9-(5-tert-butyl-2-pyridinyl)carbazole;9-(6-tert-butyl-2-pyridinyl)carbazole?
bis(tert-butylbenzene);1-tert-butyl-4-phenylbenzene;2-tert-butyl-6-phenylpyridine;9-(5-tert-butyl-2-pyridinyl)carbazole;9-(6-tert-butyl-2-pyridinyl)carbazole has a molecular weight of 1290.88 g/mol, XLogP of 25.62, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(tert-butylbenzene);1-tert-butyl-4-phenylbenzene;2-tert-butyl-6-phenylpyridine;9-(5-tert-butyl-2-pyridinyl)carbazole;9-(6-tert-butyl-2-pyridinyl)carbazole is sourced from PubChem (CID 158923617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).