9-[5-[3,6-bis(ethenyl)carbazol-9-yl]-2-pyridinyl]-3,6-ditert-butylcarbazole

C41H39N3 — CID 121245563

IUPAC9-[5-[3,6-bis(ethenyl)carbazol-9-yl]-2-pyridinyl]-3,6-ditert-butylcarbazole
SMILESC=Cc1ccc2c(c1)c1cc(C=C)ccc1n2-c1ccc(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)nc1
InChIInChI=1S/C41H39N3/c1-9-26-11-16-35-31(21-26)32-22-27(10-2)12-17-36(32)43(35)30-15-20-39(42-25-30)44-37-18-13-28(40(3,4)5)23-33(37)34-24-29(41(6,7)8)14-19-38(34)44/h9-25H,1-2H2,3-8H3
InChIKeyNDMSEGDKTPTOMW-UHFFFAOYSA-N
MW573.78 g/mol
LogP11.16
Rot. Bonds4

About 9-[5-[3,6-bis(ethenyl)carbazol-9-yl]-2-pyridinyl]-3,6-ditert-butylcarbazole

9-[5-[3,6-bis(ethenyl)carbazol-9-yl]-2-pyridinyl]-3,6-ditert-butylcarbazole (PubChem CID 121245563) has the molecular formula C41H39N3 and a molecular weight of 573.78 g/mol. Its IUPAC name is 9-[5-[3,6-bis(ethenyl)carbazol-9-yl]-2-pyridinyl]-3,6-ditert-butylcarbazole.

Molecular Properties

Compound Name9-[5-[3,6-bis(ethenyl)carbazol-9-yl]-2-pyridinyl]-3,6-ditert-butylcarbazole
PubChem CID121245563
Molecular FormulaC41H39N3
Molecular Weight573.78 g/mol
Exact Mass573.31
IUPAC Name9-[5-[3,6-bis(ethenyl)carbazol-9-yl]-2-pyridinyl]-3,6-ditert-butylcarbazole
SMILESC=Cc1ccc2c(c1)c1cc(C=C)ccc1n2-c1ccc(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)nc1
InChIInChI=1S/C41H39N3/c1-9-26-11-16-35-31(21-26)32-22-27(10-2)12-17-36(32)43(35)30-15-20-39(42-25-30)44-37-18-13-28(40(3,4)5)23-33(37)34-24-29(41(6,7)8)14-19-38(34)44/h9-25H,1-2H2,3-8H3
InChIKeyNDMSEGDKTPTOMW-UHFFFAOYSA-N
XLogP11.16
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.78
LogP ≤ 511.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-[6-[3,6-bis(ethenyl)carbazol-9-yl]-2-pyridinyl]-3,6-ditert-butylcarbazole
CID 121245405
3,6-ditert-butyl-9-[9-[5-[3-(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]-2-pyridinyl]carbazol-3-yl]carbazole
CID 163857203
9-(5-bromo-2-pyridinyl)-3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazole
CID 146209381
4-[3,6-bis[3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]carbazol-9-yl]benzaldehyde
CID 24808308
9-(2-diphenylphosphorylpyrimidin-5-yl)-3,6-bis(ethenyl)carbazole
CID 121245443
3-carbazol-9-yl-9-(6-carbazol-9-yl-2-pyridinyl)carbazole;3-carbazol-9-yl-9-(6-carbazol-9-yl-3-pyridinyl)carbazole;3,6-di(carbazol-9-yl)-9-(6-carbazol-9-yl-2-pyridinyl)carbazole
CID 157053515
9-(4-bromophenyl)-3,6-ditert-butylcarbazole
CID 139082644
3,6-ditert-butyl-9-quinoxalin-2-ylcarbazole
CID 177383382
3-(3-tert-butylcarbazol-9-yl)-6-carbazol-9-yl-9-phenylcarbazole
CID 59399314
3,6-ditert-butyl-9-(3-carbazol-9-ylphenyl)carbazole
CID 59399108
4-(3,6-ditert-butylcarbazol-9-yl)-2,6-dimethylbenzaldehyde
CID 164801065
N-[4-[3,6-bis(trifluoromethyl)carbazol-9-yl]phenyl]-4-(3,6-dimethylcarbazol-9-yl)-N-[4-(3-ethenylcarbazol-9-yl)phenyl]aniline
CID 89368375

Frequently Asked Questions

What is the IUPAC name of 9-[5-[3,6-bis(ethenyl)carbazol-9-yl]-2-pyridinyl]-3,6-ditert-butylcarbazole?
The IUPAC name of 9-[5-[3,6-bis(ethenyl)carbazol-9-yl]-2-pyridinyl]-3,6-ditert-butylcarbazole (CID 121245563) is 9-[5-[3,6-bis(ethenyl)carbazol-9-yl]-2-pyridinyl]-3,6-ditert-butylcarbazole.
What is the SMILES notation for 9-[5-[3,6-bis(ethenyl)carbazol-9-yl]-2-pyridinyl]-3,6-ditert-butylcarbazole?
The canonical SMILES for 9-[5-[3,6-bis(ethenyl)carbazol-9-yl]-2-pyridinyl]-3,6-ditert-butylcarbazole is C=Cc1ccc2c(c1)c1cc(C=C)ccc1n2-c1ccc(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)nc1.
What is the InChIKey of 9-[5-[3,6-bis(ethenyl)carbazol-9-yl]-2-pyridinyl]-3,6-ditert-butylcarbazole?
The InChIKey is NDMSEGDKTPTOMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H39N3/c1-9-26-11-16-35-31(21-26)32-22-27(10-2)12-17-36(32)43(35)30-15-20-39(42-25-30)44-37-18-13-28(40(3,4)5)23-33(37)34-24-29(41(6,7)8)14-19-38(34)44/h9-25H,1-2H2,3-8H3.
What are the key properties of 9-[5-[3,6-bis(ethenyl)carbazol-9-yl]-2-pyridinyl]-3,6-ditert-butylcarbazole?
9-[5-[3,6-bis(ethenyl)carbazol-9-yl]-2-pyridinyl]-3,6-ditert-butylcarbazole has a molecular weight of 573.78 g/mol, XLogP of 11.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[5-[3,6-bis(ethenyl)carbazol-9-yl]-2-pyridinyl]-3,6-ditert-butylcarbazole is sourced from PubChem (CID 121245563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).