2-[4-[3-[4-(5,5-dimethyl-4H-1,3-oxazol-2-yl)phenyl]-11-phenylbenzo[a]carbazol-9-yl]phenyl]-5,5-dimethyl-4H-1,3-oxazole

C44H37N3O2 — CID 135250156

IUPAC2-[4-[3-[4-(5,5-dimethyl-4H-1,3-oxazol-2-yl)phenyl]-11-phenylbenzo[a]carbazol-9-yl]phenyl]-5,5-dimethyl-4H-1,3-oxazole
SMILESCC1(C)CN=C(c2ccc(-c3ccc4c(ccc5c6ccc(-c7ccc(C8=NCC(C)(C)O8)cc7)cc6n(-c6ccccc6)c45)c3)cc2)O1
InChIInChI=1S/C44H37N3O2/c1-43(2)26-45-41(48-43)30-14-10-28(11-15-30)32-18-21-36-34(24-32)20-23-38-37-22-19-33(25-39(37)47(40(36)38)35-8-6-5-7-9-35)29-12-16-31(17-13-29)42-46-27-44(3,4)49-42/h5-25H,26-27H2,1-4H3
InChIKeyUFLLZRBHCXWCIT-UHFFFAOYSA-N
MW639.80 g/mol
LogP10.38
Rot. Bonds5

About 2-[4-[3-[4-(5,5-dimethyl-4H-1,3-oxazol-2-yl)phenyl]-11-phenylbenzo[a]carbazol-9-yl]phenyl]-5,5-dimethyl-4H-1,3-oxazole

2-[4-[3-[4-(5,5-dimethyl-4H-1,3-oxazol-2-yl)phenyl]-11-phenylbenzo[a]carbazol-9-yl]phenyl]-5,5-dimethyl-4H-1,3-oxazole (PubChem CID 135250156) has the molecular formula C44H37N3O2 and a molecular weight of 639.80 g/mol. Its IUPAC name is 2-[4-[3-[4-(5,5-dimethyl-4H-1,3-oxazol-2-yl)phenyl]-11-phenylbenzo[a]carbazol-9-yl]phenyl]-5,5-dimethyl-4H-1,3-oxazole.

Molecular Properties

Compound Name2-[4-[3-[4-(5,5-dimethyl-4H-1,3-oxazol-2-yl)phenyl]-11-phenylbenzo[a]carbazol-9-yl]phenyl]-5,5-dimethyl-4H-1,3-oxazole
PubChem CID135250156
Molecular FormulaC44H37N3O2
Molecular Weight639.80 g/mol
Exact Mass639.29
IUPAC Name2-[4-[3-[4-(5,5-dimethyl-4H-1,3-oxazol-2-yl)phenyl]-11-phenylbenzo[a]carbazol-9-yl]phenyl]-5,5-dimethyl-4H-1,3-oxazole
SMILESCC1(C)CN=C(c2ccc(-c3ccc4c(ccc5c6ccc(-c7ccc(C8=NCC(C)(C)O8)cc7)cc6n(-c6ccccc6)c45)c3)cc2)O1
InChIInChI=1S/C44H37N3O2/c1-43(2)26-45-41(48-43)30-14-10-28(11-15-30)32-18-21-36-34(24-32)20-23-38-37-22-19-33(25-39(37)47(40(36)38)35-8-6-5-7-9-35)29-12-16-31(17-13-29)42-46-27-44(3,4)49-42/h5-25H,26-27H2,1-4H3
InChIKeyUFLLZRBHCXWCIT-UHFFFAOYSA-N
XLogP10.38
TPSA48.11 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500639.80
LogP ≤ 510.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[4-[3-[4-(5,5-dimethyl-4H-1,3-oxazol-2-yl)phenyl]-11-phenylbenzo[a]carbazol-9-yl]phenyl]-5,5-dimethyl-4H-1,3-oxazole with MolForge

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Related Compounds

4,4,5,5-tetramethyl-2-[3-[11-phenyl-3-[3-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)phenyl]benzo[a]carbazol-9-yl]phenyl]-1,3-thiazole
CID 135250175
N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-(4-phenylphenyl)phenanthren-2-amine
CID 168781839
11-phenyl-9-pyridin-2-yl-3-(6-pyridin-4-ylnaphthalen-2-yl)benzo[a]carbazole
CID 163515098
3,9-bis[3-(3-methyl-2-pyridinyl)phenyl]-11-phenylbenzo[a]carbazole
CID 147320703
3,9-bis[2-(5-methyl-3-pyridinyl)phenyl]-11-phenylbenzo[a]carbazole
CID 163520863
9-[1-methyl-2-(2-methyl-4-pyridinyl)-2H-pyridin-5-yl]-3,11-diphenylbenzo[a]carbazole
CID 163658571
3,9-bis[6-(2,4,4,5,5-pentamethylimidazol-1-yl)-2-pyridinyl]-11-phenylbenzo[a]carbazole
CID 135250189
N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-2-amine
CID 168781863
11-phenyl-9-(4-pyridin-4-ylphenyl)-3-(5-pyridin-2-yl-3-pyridinyl)benzo[a]carbazole
CID 148690574
N-(4-naphthalen-1-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-4-(11-phenylbenzo[a]carbazol-9-yl)aniline
CID 168782181
11-phenyl-8-(11-phenylbenzo[a]carbazol-8-yl)naphtho[2,1-a]carbazole
CID 130233283
8-(9-dibenzofuran-3-yl-7-phenylcarbazol-3-yl)-11-phenylbenzo[a]carbazole
CID 167243823

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-[4-(5,5-dimethyl-4H-1,3-oxazol-2-yl)phenyl]-11-phenylbenzo[a]carbazol-9-yl]phenyl]-5,5-dimethyl-4H-1,3-oxazole?
The IUPAC name of 2-[4-[3-[4-(5,5-dimethyl-4H-1,3-oxazol-2-yl)phenyl]-11-phenylbenzo[a]carbazol-9-yl]phenyl]-5,5-dimethyl-4H-1,3-oxazole (CID 135250156) is 2-[4-[3-[4-(5,5-dimethyl-4H-1,3-oxazol-2-yl)phenyl]-11-phenylbenzo[a]carbazol-9-yl]phenyl]-5,5-dimethyl-4H-1,3-oxazole.
What is the SMILES notation for 2-[4-[3-[4-(5,5-dimethyl-4H-1,3-oxazol-2-yl)phenyl]-11-phenylbenzo[a]carbazol-9-yl]phenyl]-5,5-dimethyl-4H-1,3-oxazole?
The canonical SMILES for 2-[4-[3-[4-(5,5-dimethyl-4H-1,3-oxazol-2-yl)phenyl]-11-phenylbenzo[a]carbazol-9-yl]phenyl]-5,5-dimethyl-4H-1,3-oxazole is CC1(C)CN=C(c2ccc(-c3ccc4c(ccc5c6ccc(-c7ccc(C8=NCC(C)(C)O8)cc7)cc6n(-c6ccccc6)c45)c3)cc2)O1.
What is the InChIKey of 2-[4-[3-[4-(5,5-dimethyl-4H-1,3-oxazol-2-yl)phenyl]-11-phenylbenzo[a]carbazol-9-yl]phenyl]-5,5-dimethyl-4H-1,3-oxazole?
The InChIKey is UFLLZRBHCXWCIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H37N3O2/c1-43(2)26-45-41(48-43)30-14-10-28(11-15-30)32-18-21-36-34(24-32)20-23-38-37-22-19-33(25-39(37)47(40(36)38)35-8-6-5-7-9-35)29-12-16-31(17-13-29)42-46-27-44(3,4)49-42/h5-25H,26-27H2,1-4H3.
What are the key properties of 2-[4-[3-[4-(5,5-dimethyl-4H-1,3-oxazol-2-yl)phenyl]-11-phenylbenzo[a]carbazol-9-yl]phenyl]-5,5-dimethyl-4H-1,3-oxazole?
2-[4-[3-[4-(5,5-dimethyl-4H-1,3-oxazol-2-yl)phenyl]-11-phenylbenzo[a]carbazol-9-yl]phenyl]-5,5-dimethyl-4H-1,3-oxazole has a molecular weight of 639.80 g/mol, XLogP of 10.38, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-[4-(5,5-dimethyl-4H-1,3-oxazol-2-yl)phenyl]-11-phenylbenzo[a]carbazol-9-yl]phenyl]-5,5-dimethyl-4H-1,3-oxazole is sourced from PubChem (CID 135250156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).