[2,6-bis(3,6-ditert-butylcarbazol-9-yl)-4-pyridinyl]methanol;(2,6-dibromo-4-pyridinyl)methanol;3,6-ditert-butyl-9H-carbazole

C72H83Br2N5O2 — CID 160823727

IUPAC[2,6-bis(3,6-ditert-butylcarbazol-9-yl)-4-pyridinyl]methanol;(2,6-dibromo-4-pyridinyl)methanol;3,6-ditert-butyl-9H-carbazole
SMILESCC(C)(C)c1ccc2[nH]c3ccc(C(C)(C)C)cc3c2c1.CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1cc(CO)cc(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)n1.OCc1cc(Br)nc(Br)c1
InChIInChI=1S/C46H53N3O.C20H25N.C6H5Br2NO/c1-43(2,3)29-13-17-37-33(23-29)34-24-30(44(4,5)6)14-18-38(34)48(37)41-21-28(27-50)22-42(47-41)49-39-19-15-31(45(7,8)9)25-35(39)36-26-32(46(10,11)12)16-20-40(36)49;1-19(2,3)13-7-9-17-15(11-13)16-12-14(20(4,5)6)8-10-18(16)21-17;7-5-1-4(3-10)2-6(8)9-5/h13-26,50H,27H2,1-12H3;7-12,21H,1-6H3;1-2,10H,3H2
InChIKeySFWNSRKKWNLXKF-UHFFFAOYSA-N
MW1210.30 g/mol
LogP19.97
Rot. Bonds4

About [2,6-bis(3,6-ditert-butylcarbazol-9-yl)-4-pyridinyl]methanol;(2,6-dibromo-4-pyridinyl)methanol;3,6-ditert-butyl-9H-carbazole

[2,6-bis(3,6-ditert-butylcarbazol-9-yl)-4-pyridinyl]methanol;(2,6-dibromo-4-pyridinyl)methanol;3,6-ditert-butyl-9H-carbazole (PubChem CID 160823727) has the molecular formula C72H83Br2N5O2 and a molecular weight of 1210.30 g/mol. Its IUPAC name is [2,6-bis(3,6-ditert-butylcarbazol-9-yl)-4-pyridinyl]methanol;(2,6-dibromo-4-pyridinyl)methanol;3,6-ditert-butyl-9H-carbazole.

Molecular Properties

Compound Name[2,6-bis(3,6-ditert-butylcarbazol-9-yl)-4-pyridinyl]methanol;(2,6-dibromo-4-pyridinyl)methanol;3,6-ditert-butyl-9H-carbazole
PubChem CID160823727
Molecular FormulaC72H83Br2N5O2
Molecular Weight1210.30 g/mol
Exact Mass1207.49
IUPAC Name[2,6-bis(3,6-ditert-butylcarbazol-9-yl)-4-pyridinyl]methanol;(2,6-dibromo-4-pyridinyl)methanol;3,6-ditert-butyl-9H-carbazole
SMILESCC(C)(C)c1ccc2[nH]c3ccc(C(C)(C)C)cc3c2c1.CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1cc(CO)cc(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)n1.OCc1cc(Br)nc(Br)c1
InChIInChI=1S/C46H53N3O.C20H25N.C6H5Br2NO/c1-43(2,3)29-13-17-37-33(23-29)34-24-30(44(4,5)6)14-18-38(34)48(37)41-21-28(27-50)22-42(47-41)49-39-19-15-31(45(7,8)9)25-35(39)36-26-32(46(10,11)12)16-20-40(36)49;1-19(2,3)13-7-9-17-15(11-13)16-12-14(20(4,5)6)8-10-18(16)21-17;7-5-1-4(3-10)2-6(8)9-5/h13-26,50H,27H2,1-12H3;7-12,21H,1-6H3;1-2,10H,3H2
InChIKeySFWNSRKKWNLXKF-UHFFFAOYSA-N
XLogP19.97
TPSA91.89 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms81
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001210.30
LogP ≤ 519.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3,6-ditert-butyl-9-[6-(3-tert-butyl-6-methylcarbazol-9-yl)-9H-carbazol-3-yl]carbazole
CID 153353487
2-bromothiophene;3,6-ditert-butyl-9H-carbazole;3,6-ditert-butyl-9-thiophen-2-ylcarbazole
CID 159176687
9-(4-bromophenyl)-3,6-ditert-butylcarbazole
CID 139082644
9-[6-[3,6-bis(ethenyl)carbazol-9-yl]-2-pyridinyl]-3,6-ditert-butylcarbazole
CID 121245405
9-(4-tert-butyl-6-carbazol-9-yl-2-pyridinyl)carbazole
CID 155452447
9-(5-bromopyrimidin-2-yl)-3,6-ditert-butylcarbazole
CID 146197640
3,6-ditert-butyl-9-quinoxalin-2-ylcarbazole
CID 177383382
3,6-ditert-butyl-9H-carbazole;[4-[(4-methoxyphenyl)methyl]phenyl]methanol;6-methyl-9H-carbazol-3-amine;1-methyl-4-[(4-methylphenyl)methyl]benzene
CID 160732221
9-(5-bromo-2-pyridinyl)-3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazole
CID 146209381
6,12-dibromo-2,8-ditert-butyl-5,11-dihydroindolo[3,2-b]carbazole
CID 166453411
9-[3-(2-benzyl-6-phenylpyrimidin-4-yl)-5-(3,6-ditert-butylcarbazol-9-yl)cyclopenta-1,3-dien-1-yl]-3,6-ditert-butylcarbazole;3,6-ditert-butyl-9H-carbazole
CID 145186476
6-tert-butyl-1,2,3,4-tetradeuterio-9H-carbazole
CID 175932907

Frequently Asked Questions

What is the IUPAC name of [2,6-bis(3,6-ditert-butylcarbazol-9-yl)-4-pyridinyl]methanol;(2,6-dibromo-4-pyridinyl)methanol;3,6-ditert-butyl-9H-carbazole?
The IUPAC name of [2,6-bis(3,6-ditert-butylcarbazol-9-yl)-4-pyridinyl]methanol;(2,6-dibromo-4-pyridinyl)methanol;3,6-ditert-butyl-9H-carbazole (CID 160823727) is [2,6-bis(3,6-ditert-butylcarbazol-9-yl)-4-pyridinyl]methanol;(2,6-dibromo-4-pyridinyl)methanol;3,6-ditert-butyl-9H-carbazole.
What is the SMILES notation for [2,6-bis(3,6-ditert-butylcarbazol-9-yl)-4-pyridinyl]methanol;(2,6-dibromo-4-pyridinyl)methanol;3,6-ditert-butyl-9H-carbazole?
The canonical SMILES for [2,6-bis(3,6-ditert-butylcarbazol-9-yl)-4-pyridinyl]methanol;(2,6-dibromo-4-pyridinyl)methanol;3,6-ditert-butyl-9H-carbazole is CC(C)(C)c1ccc2[nH]c3ccc(C(C)(C)C)cc3c2c1.CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1cc(CO)cc(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)n1.OCc1cc(Br)nc(Br)c1.
What is the InChIKey of [2,6-bis(3,6-ditert-butylcarbazol-9-yl)-4-pyridinyl]methanol;(2,6-dibromo-4-pyridinyl)methanol;3,6-ditert-butyl-9H-carbazole?
The InChIKey is SFWNSRKKWNLXKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H53N3O.C20H25N.C6H5Br2NO/c1-43(2,3)29-13-17-37-33(23-29)34-24-30(44(4,5)6)14-18-38(34)48(37)41-21-28(27-50)22-42(47-41)49-39-19-15-31(45(7,8)9)25-35(39)36-26-32(46(10,11)12)16-20-40(36)49;1-19(2,3)13-7-9-17-15(11-13)16-12-14(20(4,5)6)8-10-18(16)21-17;7-5-1-4(3-10)2-6(8)9-5/h13-26,50H,27H2,1-12H3;7-12,21H,1-6H3;1-2,10H,3H2.
What are the key properties of [2,6-bis(3,6-ditert-butylcarbazol-9-yl)-4-pyridinyl]methanol;(2,6-dibromo-4-pyridinyl)methanol;3,6-ditert-butyl-9H-carbazole?
[2,6-bis(3,6-ditert-butylcarbazol-9-yl)-4-pyridinyl]methanol;(2,6-dibromo-4-pyridinyl)methanol;3,6-ditert-butyl-9H-carbazole has a molecular weight of 1210.30 g/mol, XLogP of 19.97, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2,6-bis(3,6-ditert-butylcarbazol-9-yl)-4-pyridinyl]methanol;(2,6-dibromo-4-pyridinyl)methanol;3,6-ditert-butyl-9H-carbazole is sourced from PubChem (CID 160823727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).