9-[2,6-bis(4-methylphenyl)phenyl]carbazole;10-[2-(3,5-diisocyanophenyl)-3-phenoxazin-10-ylphenyl]phenoxazine;10-[2-(4-isocyanophenyl)-3-phenoxazin-10-ylphenyl]phenoxazine

C107H70N8O4 — CID 160955727

IUPAC9-[2,6-bis(4-methylphenyl)phenyl]carbazole;10-[2-(3,5-diisocyanophenyl)-3-phenoxazin-10-ylphenyl]phenoxazine;10-[2-(4-isocyanophenyl)-3-phenoxazin-10-ylphenyl]phenoxazine
SMILESCc1ccc(-c2cccc(-c3ccc(C)cc3)c2-n2c3ccccc3c3ccccc32)cc1.[C-]#[N+]c1cc([N+]#[C-])cc(-c2c(N3c4ccccc4Oc4ccccc43)cccc2N2c3ccccc3Oc3ccccc32)c1.[C-]#[N+]c1ccc(-c2c(N3c4ccccc4Oc4ccccc43)cccc2N2c3ccccc3Oc3ccccc32)cc1
InChIInChI=1S/C38H22N4O2.C37H23N3O2.C32H25N/c1-39-26-22-25(23-27(24-26)40-2)38-32(41-28-12-3-7-18-34(28)43-35-19-8-4-13-29(35)41)16-11-17-33(38)42-30-14-5-9-20-36(30)44-37-21-10-6-15-31(37)42;1-38-26-23-21-25(22-24-26)37-31(39-27-11-2-6-17-33(27)41-34-18-7-3-12-28(34)39)15-10-16-32(37)40-29-13-4-8-19-35(29)42-36-20-9-5-14-30(36)40;1-22-14-18-24(19-15-22)26-10-7-11-27(25-20-16-23(2)17-21-25)32(26)33-30-12-5-3-8-28(30)29-9-4-6-13-31(29)33/h3-24H;2-24H;3-21H,1-2H3
InChIKeySWIZFAHDPUPJOJ-UHFFFAOYSA-N
MW1531.79 g/mol
LogP31.40
Rot. Bonds9

About 9-[2,6-bis(4-methylphenyl)phenyl]carbazole;10-[2-(3,5-diisocyanophenyl)-3-phenoxazin-10-ylphenyl]phenoxazine;10-[2-(4-isocyanophenyl)-3-phenoxazin-10-ylphenyl]phenoxazine

9-[2,6-bis(4-methylphenyl)phenyl]carbazole;10-[2-(3,5-diisocyanophenyl)-3-phenoxazin-10-ylphenyl]phenoxazine;10-[2-(4-isocyanophenyl)-3-phenoxazin-10-ylphenyl]phenoxazine (PubChem CID 160955727) has the molecular formula C107H70N8O4 and a molecular weight of 1531.79 g/mol. Its IUPAC name is 9-[2,6-bis(4-methylphenyl)phenyl]carbazole;10-[2-(3,5-diisocyanophenyl)-3-phenoxazin-10-ylphenyl]phenoxazine;10-[2-(4-isocyanophenyl)-3-phenoxazin-10-ylphenyl]phenoxazine.

Molecular Properties

Compound Name9-[2,6-bis(4-methylphenyl)phenyl]carbazole;10-[2-(3,5-diisocyanophenyl)-3-phenoxazin-10-ylphenyl]phenoxazine;10-[2-(4-isocyanophenyl)-3-phenoxazin-10-ylphenyl]phenoxazine
PubChem CID160955727
Molecular FormulaC107H70N8O4
Molecular Weight1531.79 g/mol
Exact Mass1530.55
IUPAC Name9-[2,6-bis(4-methylphenyl)phenyl]carbazole;10-[2-(3,5-diisocyanophenyl)-3-phenoxazin-10-ylphenyl]phenoxazine;10-[2-(4-isocyanophenyl)-3-phenoxazin-10-ylphenyl]phenoxazine
SMILESCc1ccc(-c2cccc(-c3ccc(C)cc3)c2-n2c3ccccc3c3ccccc32)cc1.[C-]#[N+]c1cc([N+]#[C-])cc(-c2c(N3c4ccccc4Oc4ccccc43)cccc2N2c3ccccc3Oc3ccccc32)c1.[C-]#[N+]c1ccc(-c2c(N3c4ccccc4Oc4ccccc43)cccc2N2c3ccccc3Oc3ccccc32)cc1
InChIInChI=1S/C38H22N4O2.C37H23N3O2.C32H25N/c1-39-26-22-25(23-27(24-26)40-2)38-32(41-28-12-3-7-18-34(28)43-35-19-8-4-13-29(35)41)16-11-17-33(38)42-30-14-5-9-20-36(30)44-37-21-10-6-15-31(37)42;1-38-26-23-21-25(22-24-26)37-31(39-27-11-2-6-17-33(27)41-34-18-7-3-12-28(34)39)15-10-16-32(37)40-29-13-4-8-19-35(29)42-36-20-9-5-14-30(36)40;1-22-14-18-24(19-15-22)26-10-7-11-27(25-20-16-23(2)17-21-25)32(26)33-30-12-5-3-8-28(30)29-9-4-6-13-31(29)33/h3-24H;2-24H;3-21H,1-2H3
InChIKeySWIZFAHDPUPJOJ-UHFFFAOYSA-N
XLogP31.40
TPSA67.89 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms119
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001531.79
LogP ≤ 531.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 9-[2,6-bis(4-methylphenyl)phenyl]carbazole;10-[2-(3,5-diisocyanophenyl)-3-phenoxazin-10-ylphenyl]phenoxazine;10-[2-(4-isocyanophenyl)-3-phenoxazin-10-ylphenyl]phenoxazine with MolForge

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Related Compounds

9-[2,3-di(carbazol-9-yl)-4-(3,5-diisocyanophenyl)phenyl]carbazole
CID 140793787
9-[2-(2-carbazol-9-yl-3-phenylphenyl)-4-phenylphenyl]-3,6-diisocyanocarbazole
CID 140825409
1-carbazol-9-yl-9-[2-(4-isocyanophenyl)phenyl]carbazole
CID 140760204
9-[3,5-di(carbazol-9-yl)-2-(3,5-diisocyanophenyl)phenyl]carbazole
CID 140793848
9-[2-(4-carbazol-9-ylphenyl)-3-(2-isocyanophenyl)phenyl]-3-isocyanocarbazole
CID 140822602
9-[3-isocyano-2-[3-isocyano-5-(10-phenylanthracen-9-yl)phenyl]phenyl]carbazole
CID 167336267
3,5-di(carbazol-9-yl)-4-(2-phenoxazin-10-ylphenyl)-2,6-diphenylbenzonitrile
CID 137369277
9-[2-(2-carbazol-9-ylphenyl)phenyl]-3,6-diisocyanocarbazole
CID 159275273
10-(3,5-diisocyanophenyl)phenoxazine
CID 159346835
3-[9-(4-isocyano-2,6-diphenylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 158455091
9-[2-[4-(3-carbazol-9-yl-2-isocyanophenyl)phenyl]phenyl]-2-isocyanocarbazole
CID 155603872
4-[3-(4-cyanophenyl)-5-(4-isocyanophenyl)-2,4,6-tri(phenoxazin-10-yl)phenyl]benzonitrile
CID 140878435

Frequently Asked Questions

What is the IUPAC name of 9-[2,6-bis(4-methylphenyl)phenyl]carbazole;10-[2-(3,5-diisocyanophenyl)-3-phenoxazin-10-ylphenyl]phenoxazine;10-[2-(4-isocyanophenyl)-3-phenoxazin-10-ylphenyl]phenoxazine?
The IUPAC name of 9-[2,6-bis(4-methylphenyl)phenyl]carbazole;10-[2-(3,5-diisocyanophenyl)-3-phenoxazin-10-ylphenyl]phenoxazine;10-[2-(4-isocyanophenyl)-3-phenoxazin-10-ylphenyl]phenoxazine (CID 160955727) is 9-[2,6-bis(4-methylphenyl)phenyl]carbazole;10-[2-(3,5-diisocyanophenyl)-3-phenoxazin-10-ylphenyl]phenoxazine;10-[2-(4-isocyanophenyl)-3-phenoxazin-10-ylphenyl]phenoxazine.
What is the SMILES notation for 9-[2,6-bis(4-methylphenyl)phenyl]carbazole;10-[2-(3,5-diisocyanophenyl)-3-phenoxazin-10-ylphenyl]phenoxazine;10-[2-(4-isocyanophenyl)-3-phenoxazin-10-ylphenyl]phenoxazine?
The canonical SMILES for 9-[2,6-bis(4-methylphenyl)phenyl]carbazole;10-[2-(3,5-diisocyanophenyl)-3-phenoxazin-10-ylphenyl]phenoxazine;10-[2-(4-isocyanophenyl)-3-phenoxazin-10-ylphenyl]phenoxazine is Cc1ccc(-c2cccc(-c3ccc(C)cc3)c2-n2c3ccccc3c3ccccc32)cc1.[C-]#[N+]c1cc([N+]#[C-])cc(-c2c(N3c4ccccc4Oc4ccccc43)cccc2N2c3ccccc3Oc3ccccc32)c1.[C-]#[N+]c1ccc(-c2c(N3c4ccccc4Oc4ccccc43)cccc2N2c3ccccc3Oc3ccccc32)cc1.
What is the InChIKey of 9-[2,6-bis(4-methylphenyl)phenyl]carbazole;10-[2-(3,5-diisocyanophenyl)-3-phenoxazin-10-ylphenyl]phenoxazine;10-[2-(4-isocyanophenyl)-3-phenoxazin-10-ylphenyl]phenoxazine?
The InChIKey is SWIZFAHDPUPJOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H22N4O2.C37H23N3O2.C32H25N/c1-39-26-22-25(23-27(24-26)40-2)38-32(41-28-12-3-7-18-34(28)43-35-19-8-4-13-29(35)41)16-11-17-33(38)42-30-14-5-9-20-36(30)44-37-21-10-6-15-31(37)42;1-38-26-23-21-25(22-24-26)37-31(39-27-11-2-6-17-33(27)41-34-18-7-3-12-28(34)39)15-10-16-32(37)40-29-13-4-8-19-35(29)42-36-20-9-5-14-30(36)40;1-22-14-18-24(19-15-22)26-10-7-11-27(25-20-16-23(2)17-21-25)32(26)33-30-12-5-3-8-28(30)29-9-4-6-13-31(29)33/h3-24H;2-24H;3-21H,1-2H3.
What are the key properties of 9-[2,6-bis(4-methylphenyl)phenyl]carbazole;10-[2-(3,5-diisocyanophenyl)-3-phenoxazin-10-ylphenyl]phenoxazine;10-[2-(4-isocyanophenyl)-3-phenoxazin-10-ylphenyl]phenoxazine?
9-[2,6-bis(4-methylphenyl)phenyl]carbazole;10-[2-(3,5-diisocyanophenyl)-3-phenoxazin-10-ylphenyl]phenoxazine;10-[2-(4-isocyanophenyl)-3-phenoxazin-10-ylphenyl]phenoxazine has a molecular weight of 1531.79 g/mol, XLogP of 31.40, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2,6-bis(4-methylphenyl)phenyl]carbazole;10-[2-(3,5-diisocyanophenyl)-3-phenoxazin-10-ylphenyl]phenoxazine;10-[2-(4-isocyanophenyl)-3-phenoxazin-10-ylphenyl]phenoxazine is sourced from PubChem (CID 160955727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).