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

C41H39N3 — CID 121245405

IUPAC9-[6-[3,6-bis(ethenyl)carbazol-9-yl]-2-pyridinyl]-3,6-ditert-butylcarbazole
SMILESC=Cc1ccc2c(c1)c1cc(C=C)ccc1n2-c1cccc(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)n1
InChIInChI=1S/C41H39N3/c1-9-26-14-18-34-30(22-26)31-23-27(10-2)15-19-35(31)43(34)38-12-11-13-39(42-38)44-36-20-16-28(40(3,4)5)24-32(36)33-25-29(41(6,7)8)17-21-37(33)44/h9-25H,1-2H2,3-8H3
InChIKeyMRZQKBASOFMSLS-UHFFFAOYSA-N
MW573.78 g/mol
LogP11.16
Rot. Bonds4

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

9-[6-[3,6-bis(ethenyl)carbazol-9-yl]-2-pyridinyl]-3,6-ditert-butylcarbazole (PubChem CID 121245405) has the molecular formula C41H39N3 and a molecular weight of 573.78 g/mol. Its IUPAC name is 9-[6-[3,6-bis(ethenyl)carbazol-9-yl]-2-pyridinyl]-3,6-ditert-butylcarbazole.

Molecular Properties

Compound Name9-[6-[3,6-bis(ethenyl)carbazol-9-yl]-2-pyridinyl]-3,6-ditert-butylcarbazole
PubChem CID121245405
Molecular FormulaC41H39N3
Molecular Weight573.78 g/mol
Exact Mass573.31
IUPAC Name9-[6-[3,6-bis(ethenyl)carbazol-9-yl]-2-pyridinyl]-3,6-ditert-butylcarbazole
SMILESC=Cc1ccc2c(c1)c1cc(C=C)ccc1n2-c1cccc(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)n1
InChIInChI=1S/C41H39N3/c1-9-26-14-18-34-30(22-26)31-23-27(10-2)15-19-35(31)43(34)38-12-11-13-39(42-38)44-36-20-16-28(40(3,4)5)24-32(36)33-25-29(41(6,7)8)17-21-37(33)44/h9-25H,1-2H2,3-8H3
InChIKeyMRZQKBASOFMSLS-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-[5-[3,6-bis(ethenyl)carbazol-9-yl]-2-pyridinyl]-3,6-ditert-butylcarbazole
CID 121245563
9-[6-[bis(3-tert-butylphenyl)-(6-carbazol-9-yl-2-pyridinyl)methyl]-2-pyridinyl]carbazole
CID 140715626
3,6-ditert-butyl-9-quinoxalin-2-ylcarbazole
CID 177383382
3,6-ditert-butyl-9-(3-carbazol-9-ylphenyl)carbazole
CID 59399108
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-(4-tert-butyl-6-carbazol-9-yl-2-pyridinyl)carbazole
CID 155452447
9-[6-[(6-carbazol-9-yl-2-pyridinyl)-bis(3,5-ditert-butylphenyl)methyl]-2-pyridinyl]carbazole
CID 140716189
1,4-bis(3,6-ditert-butylcarbazol-9-yl)phenazine
CID 140917926
1-tert-butyl-4-ethenylbenzene
CID 15627
2,4-bis(5-tert-butyl-2-phenylphenyl)-6-(5-ethenyl-2-phenylphenyl)-1,3,5-triazine
CID 141226985
4-[3,6-bis[3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]carbazol-9-yl]benzaldehyde
CID 24808308
9-[4-(2-carbazol-9-yl-4-pyridinyl)-2-pyridinyl]-3-ethenyl-6-methylcarbazole
CID 121245502

Frequently Asked Questions

What is the IUPAC name of 9-[6-[3,6-bis(ethenyl)carbazol-9-yl]-2-pyridinyl]-3,6-ditert-butylcarbazole?
The IUPAC name of 9-[6-[3,6-bis(ethenyl)carbazol-9-yl]-2-pyridinyl]-3,6-ditert-butylcarbazole (CID 121245405) is 9-[6-[3,6-bis(ethenyl)carbazol-9-yl]-2-pyridinyl]-3,6-ditert-butylcarbazole.
What is the SMILES notation for 9-[6-[3,6-bis(ethenyl)carbazol-9-yl]-2-pyridinyl]-3,6-ditert-butylcarbazole?
The canonical SMILES for 9-[6-[3,6-bis(ethenyl)carbazol-9-yl]-2-pyridinyl]-3,6-ditert-butylcarbazole is C=Cc1ccc2c(c1)c1cc(C=C)ccc1n2-c1cccc(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)n1.
What is the InChIKey of 9-[6-[3,6-bis(ethenyl)carbazol-9-yl]-2-pyridinyl]-3,6-ditert-butylcarbazole?
The InChIKey is MRZQKBASOFMSLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H39N3/c1-9-26-14-18-34-30(22-26)31-23-27(10-2)15-19-35(31)43(34)38-12-11-13-39(42-38)44-36-20-16-28(40(3,4)5)24-32(36)33-25-29(41(6,7)8)17-21-37(33)44/h9-25H,1-2H2,3-8H3.
What are the key properties of 9-[6-[3,6-bis(ethenyl)carbazol-9-yl]-2-pyridinyl]-3,6-ditert-butylcarbazole?
9-[6-[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-[6-[3,6-bis(ethenyl)carbazol-9-yl]-2-pyridinyl]-3,6-ditert-butylcarbazole is sourced from PubChem (CID 121245405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).