9-[4-[4-[5,6-bis(ethenyl)-3,4-dihydro-2H-pyridin-1-yl]phenyl]phenyl]carbazole

C33H28N2 — CID 144640445

IUPAC9-[4-[4-[5,6-bis(ethenyl)-3,4-dihydro-2H-pyridin-1-yl]phenyl]phenyl]carbazole
SMILESC=CC1=C(C=C)N(c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)CCC1
InChIInChI=1S/C33H28N2/c1-3-24-10-9-23-34(31(24)4-2)27-19-15-25(16-20-27)26-17-21-28(22-18-26)35-32-13-7-5-11-29(32)30-12-6-8-14-33(30)35/h3-8,11-22H,1-2,9-10,23H2
InChIKeyYRKJEBPPVRJTAH-UHFFFAOYSA-N
MW452.60 g/mol
LogP8.68
Rot. Bonds5

About 9-[4-[4-[5,6-bis(ethenyl)-3,4-dihydro-2H-pyridin-1-yl]phenyl]phenyl]carbazole

9-[4-[4-[5,6-bis(ethenyl)-3,4-dihydro-2H-pyridin-1-yl]phenyl]phenyl]carbazole (PubChem CID 144640445) has the molecular formula C33H28N2 and a molecular weight of 452.60 g/mol. Its IUPAC name is 9-[4-[4-[5,6-bis(ethenyl)-3,4-dihydro-2H-pyridin-1-yl]phenyl]phenyl]carbazole.

Molecular Properties

Compound Name9-[4-[4-[5,6-bis(ethenyl)-3,4-dihydro-2H-pyridin-1-yl]phenyl]phenyl]carbazole
PubChem CID144640445
Molecular FormulaC33H28N2
Molecular Weight452.60 g/mol
Exact Mass452.23
IUPAC Name9-[4-[4-[5,6-bis(ethenyl)-3,4-dihydro-2H-pyridin-1-yl]phenyl]phenyl]carbazole
SMILESC=CC1=C(C=C)N(c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)CCC1
InChIInChI=1S/C33H28N2/c1-3-24-10-9-23-34(31(24)4-2)27-19-15-25(16-20-27)26-17-21-28(22-18-26)35-32-13-7-5-11-29(32)30-12-6-8-14-33(30)35/h3-8,11-22H,1-2,9-10,23H2
InChIKeyYRKJEBPPVRJTAH-UHFFFAOYSA-N
XLogP8.68
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.60
LogP ≤ 58.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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3-ethenyl-9-(4-phenylphenyl)-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
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Frequently Asked Questions

What is the IUPAC name of 9-[4-[4-[5,6-bis(ethenyl)-3,4-dihydro-2H-pyridin-1-yl]phenyl]phenyl]carbazole?
The IUPAC name of 9-[4-[4-[5,6-bis(ethenyl)-3,4-dihydro-2H-pyridin-1-yl]phenyl]phenyl]carbazole (CID 144640445) is 9-[4-[4-[5,6-bis(ethenyl)-3,4-dihydro-2H-pyridin-1-yl]phenyl]phenyl]carbazole.
What is the SMILES notation for 9-[4-[4-[5,6-bis(ethenyl)-3,4-dihydro-2H-pyridin-1-yl]phenyl]phenyl]carbazole?
The canonical SMILES for 9-[4-[4-[5,6-bis(ethenyl)-3,4-dihydro-2H-pyridin-1-yl]phenyl]phenyl]carbazole is C=CC1=C(C=C)N(c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)CCC1.
What is the InChIKey of 9-[4-[4-[5,6-bis(ethenyl)-3,4-dihydro-2H-pyridin-1-yl]phenyl]phenyl]carbazole?
The InChIKey is YRKJEBPPVRJTAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H28N2/c1-3-24-10-9-23-34(31(24)4-2)27-19-15-25(16-20-27)26-17-21-28(22-18-26)35-32-13-7-5-11-29(32)30-12-6-8-14-33(30)35/h3-8,11-22H,1-2,9-10,23H2.
What are the key properties of 9-[4-[4-[5,6-bis(ethenyl)-3,4-dihydro-2H-pyridin-1-yl]phenyl]phenyl]carbazole?
9-[4-[4-[5,6-bis(ethenyl)-3,4-dihydro-2H-pyridin-1-yl]phenyl]phenyl]carbazole has a molecular weight of 452.60 g/mol, XLogP of 8.68, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[4-[5,6-bis(ethenyl)-3,4-dihydro-2H-pyridin-1-yl]phenyl]phenyl]carbazole is sourced from PubChem (CID 144640445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).