2-[4-[3-[9-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]-4,5-dihydro-1,3-oxazole

C42H30N4O2 — CID 135250322

IUPAC2-[4-[3-[9-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]-4,5-dihydro-1,3-oxazole
SMILESc1ccc2c(c1)c1cc(-c3ccc4c(c3)c3ccccc3n4-c3ccc(C4=NCCO4)cc3)ccc1n2-c1ccc(C2=NCCO2)cc1
InChIInChI=1S/C42H30N4O2/c1-3-7-37-33(5-1)35-25-29(13-19-39(35)45(37)31-15-9-27(10-16-31)41-43-21-23-47-41)30-14-20-40-36(26-30)34-6-2-4-8-38(34)46(40)32-17-11-28(12-18-32)42-44-22-24-48-42/h1-20,25-26H,21-24H2
InChIKeyIDVDUCHUXFEWNW-UHFFFAOYSA-N
MW622.73 g/mol
LogP9.10
Rot. Bonds5

About 2-[4-[3-[9-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]-4,5-dihydro-1,3-oxazole

2-[4-[3-[9-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]-4,5-dihydro-1,3-oxazole (PubChem CID 135250322) has the molecular formula C42H30N4O2 and a molecular weight of 622.73 g/mol. Its IUPAC name is 2-[4-[3-[9-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-[4-[3-[9-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]-4,5-dihydro-1,3-oxazole
PubChem CID135250322
Molecular FormulaC42H30N4O2
Molecular Weight622.73 g/mol
Exact Mass622.24
IUPAC Name2-[4-[3-[9-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]-4,5-dihydro-1,3-oxazole
SMILESc1ccc2c(c1)c1cc(-c3ccc4c(c3)c3ccccc3n4-c3ccc(C4=NCCO4)cc3)ccc1n2-c1ccc(C2=NCCO2)cc1
InChIInChI=1S/C42H30N4O2/c1-3-7-37-33(5-1)35-25-29(13-19-39(35)45(37)31-15-9-27(10-16-31)41-43-21-23-47-41)30-14-20-40-36(26-30)34-6-2-4-8-38(34)46(40)32-17-11-28(12-18-32)42-44-22-24-48-42/h1-20,25-26H,21-24H2
InChIKeyIDVDUCHUXFEWNW-UHFFFAOYSA-N
XLogP9.10
TPSA53.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500622.73
LogP ≤ 59.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[6-[6-[6-[5-(4,5-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]-3-pyridinyl]-4,5-dihydro-1,3-oxazole
CID 135250290
3-(4-carbazol-9-ylphenyl)-9-phenylcarbazole
CID 20685483
3-[9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 90085403
3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 118268216
9-phenyl-3-[4-[3-(4-phenylphenyl)carbazol-9-yl]phenyl]carbazole
CID 126682013
3-(9-phenylcarbazol-3-yl)-9-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazole
CID 174179535
3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 158377312
bis(3-carbazol-9-yl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole);9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 159641883
3-(6,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3,9-diphenyl-6-(9-phenylcarbazol-3-yl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158667860
2-phenyl-5-[4-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]-1,3,4-oxadiazole
CID 59489385
4-[4-[3,6-bis(4-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]-N,N-bis[4-[4-[3,6-bis(4-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]phenyl]aniline
CID 71493884
9-[4-[4-[4,6-bis[4-[4-[3,6-bis(4-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-3,6-bis(4-carbazol-9-ylphenyl)carbazole
CID 101429712

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-[9-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-[4-[3-[9-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]-4,5-dihydro-1,3-oxazole (CID 135250322) is 2-[4-[3-[9-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-[4-[3-[9-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-[4-[3-[9-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]-4,5-dihydro-1,3-oxazole is c1ccc2c(c1)c1cc(-c3ccc4c(c3)c3ccccc3n4-c3ccc(C4=NCCO4)cc3)ccc1n2-c1ccc(C2=NCCO2)cc1.
What is the InChIKey of 2-[4-[3-[9-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is IDVDUCHUXFEWNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H30N4O2/c1-3-7-37-33(5-1)35-25-29(13-19-39(35)45(37)31-15-9-27(10-16-31)41-43-21-23-47-41)30-14-20-40-36(26-30)34-6-2-4-8-38(34)46(40)32-17-11-28(12-18-32)42-44-22-24-48-42/h1-20,25-26H,21-24H2.
What are the key properties of 2-[4-[3-[9-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]-4,5-dihydro-1,3-oxazole?
2-[4-[3-[9-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 622.73 g/mol, XLogP of 9.10, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-[9-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 135250322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).