9-[3-carbazol-9-yl-5-[5-ethyl-2,4-bis(4-phenylphenyl)-4,5-dihydropyrimidin-6-yl]phenyl]carbazole

C60H44N4 — CID 155275464

IUPAC9-[3-carbazol-9-yl-5-[5-ethyl-2,4-bis(4-phenylphenyl)-4,5-dihydropyrimidin-6-yl]phenyl]carbazole
SMILESCCC1C(c2cc(-n3c4ccccc4c4ccccc43)cc(-n3c4ccccc4c4ccccc43)c2)=NC(c2ccc(-c3ccccc3)cc2)=NC1c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C60H44N4/c1-2-49-58(44-33-29-42(30-34-44)40-17-5-3-6-18-40)61-60(45-35-31-43(32-36-45)41-19-7-4-8-20-41)62-59(49)46-37-47(63-54-25-13-9-21-50(54)51-22-10-14-26-55(51)63)39-48(38-46)64-56-27-15-11-23-52(56)53-24-12-16-28-57(53)64/h3-39,49,58H,2H2,1H3
InChIKeySREXMLUMMXENOG-UHFFFAOYSA-N
MW821.04 g/mol
LogP15.23
Rot. Bonds8

About 9-[3-carbazol-9-yl-5-[5-ethyl-2,4-bis(4-phenylphenyl)-4,5-dihydropyrimidin-6-yl]phenyl]carbazole

9-[3-carbazol-9-yl-5-[5-ethyl-2,4-bis(4-phenylphenyl)-4,5-dihydropyrimidin-6-yl]phenyl]carbazole (PubChem CID 155275464) has the molecular formula C60H44N4 and a molecular weight of 821.04 g/mol. Its IUPAC name is 9-[3-carbazol-9-yl-5-[5-ethyl-2,4-bis(4-phenylphenyl)-4,5-dihydropyrimidin-6-yl]phenyl]carbazole.

Molecular Properties

Compound Name9-[3-carbazol-9-yl-5-[5-ethyl-2,4-bis(4-phenylphenyl)-4,5-dihydropyrimidin-6-yl]phenyl]carbazole
PubChem CID155275464
Molecular FormulaC60H44N4
Molecular Weight821.04 g/mol
Exact Mass820.36
IUPAC Name9-[3-carbazol-9-yl-5-[5-ethyl-2,4-bis(4-phenylphenyl)-4,5-dihydropyrimidin-6-yl]phenyl]carbazole
SMILESCCC1C(c2cc(-n3c4ccccc4c4ccccc43)cc(-n3c4ccccc4c4ccccc43)c2)=NC(c2ccc(-c3ccccc3)cc2)=NC1c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C60H44N4/c1-2-49-58(44-33-29-42(30-34-44)40-17-5-3-6-18-40)61-60(45-35-31-43(32-36-45)41-19-7-4-8-20-41)62-59(49)46-37-47(63-54-25-13-9-21-50(54)51-22-10-14-26-55(51)63)39-48(38-46)64-56-27-15-11-23-52(56)53-24-12-16-28-57(53)64/h3-39,49,58H,2H2,1H3
InChIKeySREXMLUMMXENOG-UHFFFAOYSA-N
XLogP15.23
TPSA34.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500821.04
LogP ≤ 515.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[4-(5-ethyl-2,4-diphenyl-4,5-dihydropyrimidin-6-yl)naphthalen-1-yl]-3-phenylbenzo[b]carbazole
CID 154982215
9-[3,5-bis(3-phenylcarbazol-9-yl)phenyl]-3-phenylcarbazole
CID 59399106
9-[3-carbazol-9-yl-5-[3-phenyl-5-(4-phenylphenyl)phenyl]phenyl]carbazole
CID 176740225
5-[4-(4-dibenzothiophen-3-yl-5-ethyl-6-phenyl-4,5-dihydropyrimidin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole
CID 166698966
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-(3-phenylphenyl)carbazol-9-yl]phenyl]-3-(3-phenylphenyl)carbazole
CID 150934071
9-[3-carbazol-9-yl-5-(3-carbazol-9-yl-5-phenylphenyl)phenyl]carbazole
CID 58769488
3-[9-[3-(3-phenylphenyl)phenyl]carbazol-3-yl]-9-[3-phenyl-5-(3-phenylphenyl)phenyl]carbazole
CID 157108405
3,9-diphenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
CID 118449494
9-[3-[3,6-bis(3-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]-3,6-bis(3-carbazol-9-ylphenyl)carbazole
CID 153162679
9-[3,5-bis(4-carbazol-9-ylphenyl)phenyl]carbazole;9-[3-carbazol-9-yl-5-(3,5-diphenylphenyl)phenyl]carbazole
CID 165005814
2-[12-(3-ethyl-2,7-diphenyl-3,6-dihydro-2H-azepin-4-yl)triphenylen-2-yl]-9-(4-phenylphenyl)carbazole
CID 155198264
9-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3-diaza-5-azanidacyclohexa-2,6-dien-2-yl]phenyl]carbazole
CID 143388767

Frequently Asked Questions

What is the IUPAC name of 9-[3-carbazol-9-yl-5-[5-ethyl-2,4-bis(4-phenylphenyl)-4,5-dihydropyrimidin-6-yl]phenyl]carbazole?
The IUPAC name of 9-[3-carbazol-9-yl-5-[5-ethyl-2,4-bis(4-phenylphenyl)-4,5-dihydropyrimidin-6-yl]phenyl]carbazole (CID 155275464) is 9-[3-carbazol-9-yl-5-[5-ethyl-2,4-bis(4-phenylphenyl)-4,5-dihydropyrimidin-6-yl]phenyl]carbazole.
What is the SMILES notation for 9-[3-carbazol-9-yl-5-[5-ethyl-2,4-bis(4-phenylphenyl)-4,5-dihydropyrimidin-6-yl]phenyl]carbazole?
The canonical SMILES for 9-[3-carbazol-9-yl-5-[5-ethyl-2,4-bis(4-phenylphenyl)-4,5-dihydropyrimidin-6-yl]phenyl]carbazole is CCC1C(c2cc(-n3c4ccccc4c4ccccc43)cc(-n3c4ccccc4c4ccccc43)c2)=NC(c2ccc(-c3ccccc3)cc2)=NC1c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 9-[3-carbazol-9-yl-5-[5-ethyl-2,4-bis(4-phenylphenyl)-4,5-dihydropyrimidin-6-yl]phenyl]carbazole?
The InChIKey is SREXMLUMMXENOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H44N4/c1-2-49-58(44-33-29-42(30-34-44)40-17-5-3-6-18-40)61-60(45-35-31-43(32-36-45)41-19-7-4-8-20-41)62-59(49)46-37-47(63-54-25-13-9-21-50(54)51-22-10-14-26-55(51)63)39-48(38-46)64-56-27-15-11-23-52(56)53-24-12-16-28-57(53)64/h3-39,49,58H,2H2,1H3.
What are the key properties of 9-[3-carbazol-9-yl-5-[5-ethyl-2,4-bis(4-phenylphenyl)-4,5-dihydropyrimidin-6-yl]phenyl]carbazole?
9-[3-carbazol-9-yl-5-[5-ethyl-2,4-bis(4-phenylphenyl)-4,5-dihydropyrimidin-6-yl]phenyl]carbazole has a molecular weight of 821.04 g/mol, XLogP of 15.23, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-carbazol-9-yl-5-[5-ethyl-2,4-bis(4-phenylphenyl)-4,5-dihydropyrimidin-6-yl]phenyl]carbazole is sourced from PubChem (CID 155275464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).