(4S)-4-tert-butyl-2-[8-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-3,6-diphenyl-9H-carbazol-1-yl]-4,5-dihydro-1,3-oxazole

C38H39N3O2 — CID 11296045

IUPAC(4S)-4-tert-butyl-2-[8-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-3,6-diphenyl-9H-carbazol-1-yl]-4,5-dihydro-1,3-oxazole
SMILESCC(C)(C)[C@H]1COC(c2cc(-c3ccccc3)cc3c2[nH]c2c(C4=N[C@@H](C(C)(C)C)CO4)cc(-c4ccccc4)cc23)=N1
InChIInChI=1S/C38H39N3O2/c1-37(2,3)31-21-42-35(39-31)29-19-25(23-13-9-7-10-14-23)17-27-28-18-26(24-15-11-8-12-16-24)20-30(34(28)41-33(27)29)36-40-32(22-43-36)38(4,5)6/h7-20,31-32,41H,21-22H2,1-6H3/t31-,32-/m1/s1
InChIKeyIIPQMCWOSWHUIW-ROJLCIKYSA-N
MW569.75 g/mol
LogP9.04
Rot. Bonds4

About (4S)-4-tert-butyl-2-[8-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-3,6-diphenyl-9H-carbazol-1-yl]-4,5-dihydro-1,3-oxazole

(4S)-4-tert-butyl-2-[8-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-3,6-diphenyl-9H-carbazol-1-yl]-4,5-dihydro-1,3-oxazole (PubChem CID 11296045) has the molecular formula C38H39N3O2 and a molecular weight of 569.75 g/mol. Its IUPAC name is (4S)-4-tert-butyl-2-[8-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-3,6-diphenyl-9H-carbazol-1-yl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S)-4-tert-butyl-2-[8-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-3,6-diphenyl-9H-carbazol-1-yl]-4,5-dihydro-1,3-oxazole
PubChem CID11296045
Molecular FormulaC38H39N3O2
Molecular Weight569.75 g/mol
Exact Mass569.30
IUPAC Name(4S)-4-tert-butyl-2-[8-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-3,6-diphenyl-9H-carbazol-1-yl]-4,5-dihydro-1,3-oxazole
SMILESCC(C)(C)[C@H]1COC(c2cc(-c3ccccc3)cc3c2[nH]c2c(C4=N[C@@H](C(C)(C)C)CO4)cc(-c4ccccc4)cc23)=N1
InChIInChI=1S/C38H39N3O2/c1-37(2,3)31-21-42-35(39-31)29-19-25(23-13-9-7-10-14-23)17-27-28-18-26(24-15-11-8-12-16-24)20-30(34(28)41-33(27)29)36-40-32(22-43-36)38(4,5)6/h7-20,31-32,41H,21-22H2,1-6H3/t31-,32-/m1/s1
InChIKeyIIPQMCWOSWHUIW-ROJLCIKYSA-N
XLogP9.04
TPSA58.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.75
LogP ≤ 59.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4S)-4-tert-butyl-2-[8-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-3,6-diphenyl-9H-carbazol-1-yl]-4,5-dihydro-1,3-oxazole with MolForge

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Launch Full Analysis

Related Compounds

(4S)-4-tert-butyl-2-(2-phenylphenyl)-4,5-dihydro-1,3-oxazole
CID 71232307
4-tert-butyl-2-[3-(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-4,5-dihydro-1,3-oxazole
CID 15447611
(4R)-4-tert-butyl-2-naphthalen-1-yl-4,5-dihydro-1,3-oxazole
CID 146025915
(4S)-2-[2-[2,6-bis[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-3-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-4-tert-butyl-4,5-dihydro-1,3-oxazole
CID 23727304
2-(2-bromophenyl)-4-tert-butyl-4,5-dihydro-1,3-oxazole
CID 53421125
(4S)-2-(1-bromonaphthalen-2-yl)-4-tert-butyl-4,5-dihydro-1,3-oxazole
CID 10404485
22-tert-butyl-4,12,17,27-tetraphenyl-8,29,30,31-tetrazaheptacyclo[23.3.1.115,19.120,24.02,7.06,10.09,14]hentriaconta-1(29),2,4,6,9,11,13,15(31),16,18,20(30),21,23,25,27-pentadecaene
CID 140932860
[2-[(4R)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-[2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-phenylphosphane
CID 176507761
(4S)-4-tert-butyl-2-(3-methoxynaphthalen-2-yl)-4,5-dihydro-1,3-oxazole
CID 10612982
17,22-ditert-butyl-4,12,27-triphenyl-8,29,31-triazaheptacyclo[23.3.1.115,19.120,24.02,7.06,10.09,14]hentriaconta-1(28),2,4,6,9,11,13,15,17,19(31),20,22,24(30),25(29),26-pentadecaene
CID 140933024
(4S)-4-tert-butyl-2-[2-(trifluoromethylsulfanyl)phenyl]-4,5-dihydro-1,3-oxazole
CID 102359560
(4R)-4-tert-butyl-2-pyridin-2-yl-4,5-dihydro-1,3-oxazole
CID 101039596

Frequently Asked Questions

What is the IUPAC name of (4S)-4-tert-butyl-2-[8-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-3,6-diphenyl-9H-carbazol-1-yl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S)-4-tert-butyl-2-[8-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-3,6-diphenyl-9H-carbazol-1-yl]-4,5-dihydro-1,3-oxazole (CID 11296045) is (4S)-4-tert-butyl-2-[8-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-3,6-diphenyl-9H-carbazol-1-yl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S)-4-tert-butyl-2-[8-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-3,6-diphenyl-9H-carbazol-1-yl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S)-4-tert-butyl-2-[8-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-3,6-diphenyl-9H-carbazol-1-yl]-4,5-dihydro-1,3-oxazole is CC(C)(C)[C@H]1COC(c2cc(-c3ccccc3)cc3c2[nH]c2c(C4=N[C@@H](C(C)(C)C)CO4)cc(-c4ccccc4)cc23)=N1.
What is the InChIKey of (4S)-4-tert-butyl-2-[8-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-3,6-diphenyl-9H-carbazol-1-yl]-4,5-dihydro-1,3-oxazole?
The InChIKey is IIPQMCWOSWHUIW-ROJLCIKYSA-N. The full InChI is InChI=1S/C38H39N3O2/c1-37(2,3)31-21-42-35(39-31)29-19-25(23-13-9-7-10-14-23)17-27-28-18-26(24-15-11-8-12-16-24)20-30(34(28)41-33(27)29)36-40-32(22-43-36)38(4,5)6/h7-20,31-32,41H,21-22H2,1-6H3/t31-,32-/m1/s1.
What are the key properties of (4S)-4-tert-butyl-2-[8-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-3,6-diphenyl-9H-carbazol-1-yl]-4,5-dihydro-1,3-oxazole?
(4S)-4-tert-butyl-2-[8-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-3,6-diphenyl-9H-carbazol-1-yl]-4,5-dihydro-1,3-oxazole has a molecular weight of 569.75 g/mol, XLogP of 9.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-tert-butyl-2-[8-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-3,6-diphenyl-9H-carbazol-1-yl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 11296045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).