6,6,12,12-tetramethyl-11-tetraphenylen-2-ylbenzo[c][1,5]benzoxazocine

C42H35NO — CID 140937470

IUPAC6,6,12,12-tetramethyl-11-tetraphenylen-2-ylbenzo[c][1,5]benzoxazocine
SMILESCC1(C)Oc2ccccc2C(C)(C)N(c2ccc3c(c2)-c2ccccc2-c2ccccc2-c2ccccc2-3)c2ccccc21
InChIInChI=1S/C42H35NO/c1-41(2)38-22-12-14-24-40(38)44-42(3,4)37-21-11-13-23-39(37)43(41)28-25-26-35-33-19-8-7-17-31(33)29-15-5-6-16-30(29)32-18-9-10-20-34(32)36(35)27-28/h5-27H,1-4H3/b31-29-,32-30-,35-33-,36-34-
InChIKeyPPWCDRPPKWGRQE-FWNWMOKYSA-N
MW569.75 g/mol
LogP11.37
Rot. Bonds1

About 6,6,12,12-tetramethyl-11-tetraphenylen-2-ylbenzo[c][1,5]benzoxazocine

6,6,12,12-tetramethyl-11-tetraphenylen-2-ylbenzo[c][1,5]benzoxazocine (PubChem CID 140937470) has the molecular formula C42H35NO and a molecular weight of 569.75 g/mol. Its IUPAC name is 6,6,12,12-tetramethyl-11-tetraphenylen-2-ylbenzo[c][1,5]benzoxazocine.

Molecular Properties

Compound Name6,6,12,12-tetramethyl-11-tetraphenylen-2-ylbenzo[c][1,5]benzoxazocine
PubChem CID140937470
Molecular FormulaC42H35NO
Molecular Weight569.75 g/mol
Exact Mass569.27
IUPAC Name6,6,12,12-tetramethyl-11-tetraphenylen-2-ylbenzo[c][1,5]benzoxazocine
SMILESCC1(C)Oc2ccccc2C(C)(C)N(c2ccc3c(c2)-c2ccccc2-c2ccccc2-c2ccccc2-3)c2ccccc21
InChIInChI=1S/C42H35NO/c1-41(2)38-22-12-14-24-40(38)44-42(3,4)37-21-11-13-23-39(37)43(41)28-25-26-35-33-19-8-7-17-31(33)29-15-5-6-16-30(29)32-18-9-10-20-34(32)36(35)27-28/h5-27H,1-4H3/b31-29-,32-30-,35-33-,36-34-
InChIKeyPPWCDRPPKWGRQE-FWNWMOKYSA-N
XLogP11.37
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.75
LogP ≤ 511.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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10-[4-[4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,6-dimethylbenzo[c]chromen-3-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine
CID 168802896
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CID 130262419
1,4,4-trimethyl-3,1-benzoxazin-2-one
CID 30633
17-carbazol-9-yl-30,30-dimethyl-23-phenyl-23-azaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2,4,6,8,10,12,14(19),15,17,20,22(31),24,26,28-pentadecaene
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CID 146495452
CID 146495452

Frequently Asked Questions

What is the IUPAC name of 6,6,12,12-tetramethyl-11-tetraphenylen-2-ylbenzo[c][1,5]benzoxazocine?
The IUPAC name of 6,6,12,12-tetramethyl-11-tetraphenylen-2-ylbenzo[c][1,5]benzoxazocine (CID 140937470) is 6,6,12,12-tetramethyl-11-tetraphenylen-2-ylbenzo[c][1,5]benzoxazocine.
What is the SMILES notation for 6,6,12,12-tetramethyl-11-tetraphenylen-2-ylbenzo[c][1,5]benzoxazocine?
The canonical SMILES for 6,6,12,12-tetramethyl-11-tetraphenylen-2-ylbenzo[c][1,5]benzoxazocine is CC1(C)Oc2ccccc2C(C)(C)N(c2ccc3c(c2)-c2ccccc2-c2ccccc2-c2ccccc2-3)c2ccccc21.
What is the InChIKey of 6,6,12,12-tetramethyl-11-tetraphenylen-2-ylbenzo[c][1,5]benzoxazocine?
The InChIKey is PPWCDRPPKWGRQE-FWNWMOKYSA-N. The full InChI is InChI=1S/C42H35NO/c1-41(2)38-22-12-14-24-40(38)44-42(3,4)37-21-11-13-23-39(37)43(41)28-25-26-35-33-19-8-7-17-31(33)29-15-5-6-16-30(29)32-18-9-10-20-34(32)36(35)27-28/h5-27H,1-4H3/b31-29-,32-30-,35-33-,36-34-.
What are the key properties of 6,6,12,12-tetramethyl-11-tetraphenylen-2-ylbenzo[c][1,5]benzoxazocine?
6,6,12,12-tetramethyl-11-tetraphenylen-2-ylbenzo[c][1,5]benzoxazocine has a molecular weight of 569.75 g/mol, XLogP of 11.37, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,12,12-tetramethyl-11-tetraphenylen-2-ylbenzo[c][1,5]benzoxazocine is sourced from PubChem (CID 140937470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).