5,9-diphenyl-7-[4-(4-phenylphenyl)pyrimidin-2-yl]benzo[c]carbazole

C44H29N3 — CID 90269657

IUPAC5,9-diphenyl-7-[4-(4-phenylphenyl)pyrimidin-2-yl]benzo[c]carbazole
SMILESc1ccc(-c2ccc(-c3ccnc(-n4c5cc(-c6ccccc6)ccc5c5c6ccccc6c(-c6ccccc6)cc54)n3)cc2)cc1
InChIInChI=1S/C44H29N3/c1-4-12-30(13-5-1)32-20-22-34(23-21-32)40-26-27-45-44(46-40)47-41-28-35(31-14-6-2-7-15-31)24-25-38(41)43-37-19-11-10-18-36(37)39(29-42(43)47)33-16-8-3-9-17-33/h1-29H
InChIKeyNREWFOHCBFZEOO-UHFFFAOYSA-N
MW599.74 g/mol
LogP11.39
Rot. Bonds5

About 5,9-diphenyl-7-[4-(4-phenylphenyl)pyrimidin-2-yl]benzo[c]carbazole

5,9-diphenyl-7-[4-(4-phenylphenyl)pyrimidin-2-yl]benzo[c]carbazole (PubChem CID 90269657) has the molecular formula C44H29N3 and a molecular weight of 599.74 g/mol. Its IUPAC name is 5,9-diphenyl-7-[4-(4-phenylphenyl)pyrimidin-2-yl]benzo[c]carbazole.

Molecular Properties

Compound Name5,9-diphenyl-7-[4-(4-phenylphenyl)pyrimidin-2-yl]benzo[c]carbazole
PubChem CID90269657
Molecular FormulaC44H29N3
Molecular Weight599.74 g/mol
Exact Mass599.24
IUPAC Name5,9-diphenyl-7-[4-(4-phenylphenyl)pyrimidin-2-yl]benzo[c]carbazole
SMILESc1ccc(-c2ccc(-c3ccnc(-n4c5cc(-c6ccccc6)ccc5c5c6ccccc6c(-c6ccccc6)cc54)n3)cc2)cc1
InChIInChI=1S/C44H29N3/c1-4-12-30(13-5-1)32-20-22-34(23-21-32)40-26-27-45-44(46-40)47-41-28-35(31-14-6-2-7-15-31)24-25-38(41)43-37-19-11-10-18-36(37)39(29-42(43)47)33-16-8-3-9-17-33/h1-29H
InChIKeyNREWFOHCBFZEOO-UHFFFAOYSA-N
XLogP11.39
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500599.74
LogP ≤ 511.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)pyrimidin-2-yl]carbazole
CID 118083964
9-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-4-[3-[2-(2-phenylcarbazol-9-yl)pyrimidin-4-yl]-5-(4-phenylphenyl)phenyl]carbazole
CID 126582844
7-phenyl-5-[9-[4-(4-phenylphenyl)-1,3-diazecin-2-yl]carbazol-3-yl]benzo[c]carbazole
CID 118637729
5,9-diphenyl-7-[4-(4-phenylphenyl)quinolin-2-yl]benzo[c]carbazole
CID 144640327
5,9-diphenyl-7-[4-(3-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole
CID 90215703
3-(9-phenylcarbazol-2-yl)-9-[4-[3-phenyl-5-(4-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole
CID 118028979
11-phenyl-5-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]-[1]benzothiolo[3,2-c]carbazole
CID 71235139
2,5-bis[9-[4-(3-phenylphenyl)pyrimidin-2-yl]carbazol-2-yl]-1,3,4-thiadiazole
CID 122594001
9-[4-(3-dibenzothiophen-4-ylphenyl)pyrimidin-2-yl]-2,7-diphenylcarbazole
CID 118133186
9-(4-phenylpyrimidin-2-yl)-14-(5-phenylpyrimidin-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 126755686
4-(5,7-diphenylbenzo[g]carbazol-9-yl)pyridine-2-carbonitrile
CID 118397508
9-(3,5-diphenylphenyl)-7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]benzo[c]carbazole;7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-5,9-diphenylbenzo[c]carbazole;7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-10-phenylbenzo[c]carbazole
CID 158118330

Frequently Asked Questions

What is the IUPAC name of 5,9-diphenyl-7-[4-(4-phenylphenyl)pyrimidin-2-yl]benzo[c]carbazole?
The IUPAC name of 5,9-diphenyl-7-[4-(4-phenylphenyl)pyrimidin-2-yl]benzo[c]carbazole (CID 90269657) is 5,9-diphenyl-7-[4-(4-phenylphenyl)pyrimidin-2-yl]benzo[c]carbazole.
What is the SMILES notation for 5,9-diphenyl-7-[4-(4-phenylphenyl)pyrimidin-2-yl]benzo[c]carbazole?
The canonical SMILES for 5,9-diphenyl-7-[4-(4-phenylphenyl)pyrimidin-2-yl]benzo[c]carbazole is c1ccc(-c2ccc(-c3ccnc(-n4c5cc(-c6ccccc6)ccc5c5c6ccccc6c(-c6ccccc6)cc54)n3)cc2)cc1.
What is the InChIKey of 5,9-diphenyl-7-[4-(4-phenylphenyl)pyrimidin-2-yl]benzo[c]carbazole?
The InChIKey is NREWFOHCBFZEOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H29N3/c1-4-12-30(13-5-1)32-20-22-34(23-21-32)40-26-27-45-44(46-40)47-41-28-35(31-14-6-2-7-15-31)24-25-38(41)43-37-19-11-10-18-36(37)39(29-42(43)47)33-16-8-3-9-17-33/h1-29H.
What are the key properties of 5,9-diphenyl-7-[4-(4-phenylphenyl)pyrimidin-2-yl]benzo[c]carbazole?
5,9-diphenyl-7-[4-(4-phenylphenyl)pyrimidin-2-yl]benzo[c]carbazole has a molecular weight of 599.74 g/mol, XLogP of 11.39, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,9-diphenyl-7-[4-(4-phenylphenyl)pyrimidin-2-yl]benzo[c]carbazole is sourced from PubChem (CID 90269657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).