2-(4-carbazol-9-yl-3-methyl-2H-imidazol-1-yl)-9-(9-pyridin-2-ylcarbazol-2-yl)carbazole

C45H32N6 — CID 140729981

IUPAC2-(4-carbazol-9-yl-3-methyl-2H-imidazol-1-yl)-9-(9-pyridin-2-ylcarbazol-2-yl)carbazole
SMILESCN1CN(c2ccc3c4ccccc4n(-c4ccc5c6ccccc6n(-c6ccccn6)c5c4)c3c2)C=C1n1c2ccccc2c2ccccc21
InChIInChI=1S/C45H32N6/c1-47-29-48(28-45(47)51-40-18-8-4-12-32(40)33-13-5-9-19-41(33)51)30-21-23-36-34-14-2-6-16-38(34)49(42(36)26-30)31-22-24-37-35-15-3-7-17-39(35)50(43(37)27-31)44-20-10-11-25-46-44/h2-28H,29H2,1H3
InChIKeyLZEBOFIDESXSQK-UHFFFAOYSA-N
MW656.79 g/mol
LogP10.55
Rot. Bonds4

About 2-(4-carbazol-9-yl-3-methyl-2H-imidazol-1-yl)-9-(9-pyridin-2-ylcarbazol-2-yl)carbazole

2-(4-carbazol-9-yl-3-methyl-2H-imidazol-1-yl)-9-(9-pyridin-2-ylcarbazol-2-yl)carbazole (PubChem CID 140729981) has the molecular formula C45H32N6 and a molecular weight of 656.79 g/mol. Its IUPAC name is 2-(4-carbazol-9-yl-3-methyl-2H-imidazol-1-yl)-9-(9-pyridin-2-ylcarbazol-2-yl)carbazole.

Molecular Properties

Compound Name2-(4-carbazol-9-yl-3-methyl-2H-imidazol-1-yl)-9-(9-pyridin-2-ylcarbazol-2-yl)carbazole
PubChem CID140729981
Molecular FormulaC45H32N6
Molecular Weight656.79 g/mol
Exact Mass656.27
IUPAC Name2-(4-carbazol-9-yl-3-methyl-2H-imidazol-1-yl)-9-(9-pyridin-2-ylcarbazol-2-yl)carbazole
SMILESCN1CN(c2ccc3c4ccccc4n(-c4ccc5c6ccccc6n(-c6ccccn6)c5c4)c3c2)C=C1n1c2ccccc2c2ccccc21
InChIInChI=1S/C45H32N6/c1-47-29-48(28-45(47)51-40-18-8-4-12-32(40)33-13-5-9-19-41(33)51)30-21-23-36-34-14-2-6-16-38(34)49(42(36)26-30)31-22-24-37-35-15-3-7-17-39(35)50(43(37)27-31)44-20-10-11-25-46-44/h2-28H,29H2,1H3
InChIKeyLZEBOFIDESXSQK-UHFFFAOYSA-N
XLogP10.55
TPSA34.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500656.79
LogP ≤ 510.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-phenyl-9-(9-pyridin-2-ylcarbazol-2-yl)carbazole
CID 71478701
9-pyridin-2-yl-N-(9-pyridin-2-ylcarbazol-2-yl)carbazol-2-amine
CID 137412781
2-pyridazin-1-ium-1-yl-9-(9-pyridin-2-ylcarbazol-2-yl)carbazole
CID 164707172
2-[3-(3-phenyl-2H-imidazol-1-yl)phenoxy]-9-pyridin-2-ylcarbazole
CID 160515373
12-phenyl-22-pyridin-2-yl-12,22-diazahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaene
CID 122464990
3,7-diphenyl-5-pyridin-2-ylindolo[2,3-b]carbazole
CID 149342051
2-imidazo[1,5-a]pyridin-1-yl-9-(9-pyridin-2-ylcarbazol-2-yl)carbazole
CID 140730176
dimethyl-[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]-(9-pyridin-2-ylcarbazol-2-yl)-λ4-sulfane
CID 171434230
7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-pyridin-2-ylindolo[2,3-b]carbazole
CID 134442866
platinum(2+);9-pyridin-2-yl-2-(2-quinolin-2-ylcarbazol-9-yl)carbazole
CID 71478704
8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-22-pyridin-2-yl-8,22-diazaheptacyclo[13.6.1.04,20.07,19.09,18.012,17.016,21]docosa-1(21),2,4(20),5,7(19),9(18),10,12(17),13,15-decaene
CID 90249770
2-[3-(9-pyridin-2-ylcarbazol-2-yl)-2H-imidazo[4,5-b]pyridin-1-yl]phenol
CID 140679502

Frequently Asked Questions

What is the IUPAC name of 2-(4-carbazol-9-yl-3-methyl-2H-imidazol-1-yl)-9-(9-pyridin-2-ylcarbazol-2-yl)carbazole?
The IUPAC name of 2-(4-carbazol-9-yl-3-methyl-2H-imidazol-1-yl)-9-(9-pyridin-2-ylcarbazol-2-yl)carbazole (CID 140729981) is 2-(4-carbazol-9-yl-3-methyl-2H-imidazol-1-yl)-9-(9-pyridin-2-ylcarbazol-2-yl)carbazole.
What is the SMILES notation for 2-(4-carbazol-9-yl-3-methyl-2H-imidazol-1-yl)-9-(9-pyridin-2-ylcarbazol-2-yl)carbazole?
The canonical SMILES for 2-(4-carbazol-9-yl-3-methyl-2H-imidazol-1-yl)-9-(9-pyridin-2-ylcarbazol-2-yl)carbazole is CN1CN(c2ccc3c4ccccc4n(-c4ccc5c6ccccc6n(-c6ccccn6)c5c4)c3c2)C=C1n1c2ccccc2c2ccccc21.
What is the InChIKey of 2-(4-carbazol-9-yl-3-methyl-2H-imidazol-1-yl)-9-(9-pyridin-2-ylcarbazol-2-yl)carbazole?
The InChIKey is LZEBOFIDESXSQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H32N6/c1-47-29-48(28-45(47)51-40-18-8-4-12-32(40)33-13-5-9-19-41(33)51)30-21-23-36-34-14-2-6-16-38(34)49(42(36)26-30)31-22-24-37-35-15-3-7-17-39(35)50(43(37)27-31)44-20-10-11-25-46-44/h2-28H,29H2,1H3.
What are the key properties of 2-(4-carbazol-9-yl-3-methyl-2H-imidazol-1-yl)-9-(9-pyridin-2-ylcarbazol-2-yl)carbazole?
2-(4-carbazol-9-yl-3-methyl-2H-imidazol-1-yl)-9-(9-pyridin-2-ylcarbazol-2-yl)carbazole has a molecular weight of 656.79 g/mol, XLogP of 10.55, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-carbazol-9-yl-3-methyl-2H-imidazol-1-yl)-9-(9-pyridin-2-ylcarbazol-2-yl)carbazole is sourced from PubChem (CID 140729981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).