3-[2,5-bis(2-carbazol-9-ylpropan-2-yl)-3-(3-cyanophenyl)-4,6-di(phenoxazin-10-yl)phenyl]benzonitrile

C74H52N6O2 — CID 148741443

IUPAC3-[2,5-bis(2-carbazol-9-ylpropan-2-yl)-3-(3-cyanophenyl)-4,6-di(phenoxazin-10-yl)phenyl]benzonitrile
SMILESCC(C)(c1c(-c2cccc(C#N)c2)c(N2c3ccccc3Oc3ccccc32)c(C(C)(C)n2c3ccccc3c3ccccc32)c(N2c3ccccc3Oc3ccccc32)c1-c1cccc(C#N)c1)n1c2ccccc2c2ccccc21
InChIInChI=1S/C74H52N6O2/c1-73(2,79-55-31-9-5-27-51(55)52-28-6-10-32-56(52)79)69-67(49-25-21-23-47(43-49)45-75)71(77-59-35-13-17-39-63(59)81-64-40-18-14-36-60(64)77)70(74(3,4)80-57-33-11-7-29-53(57)54-30-8-12-34-58(54)80)72(68(69)50-26-22-24-48(44-50)46-76)78-61-37-15-19-41-65(61)82-66-42-20-16-38-62(66)78/h5-44H,1-4H3
InChIKeyOCXPHZRKPSMKGO-UHFFFAOYSA-N
MW1057.27 g/mol
LogP19.70
Rot. Bonds8

About 3-[2,5-bis(2-carbazol-9-ylpropan-2-yl)-3-(3-cyanophenyl)-4,6-di(phenoxazin-10-yl)phenyl]benzonitrile

3-[2,5-bis(2-carbazol-9-ylpropan-2-yl)-3-(3-cyanophenyl)-4,6-di(phenoxazin-10-yl)phenyl]benzonitrile (PubChem CID 148741443) has the molecular formula C74H52N6O2 and a molecular weight of 1057.27 g/mol. Its IUPAC name is 3-[2,5-bis(2-carbazol-9-ylpropan-2-yl)-3-(3-cyanophenyl)-4,6-di(phenoxazin-10-yl)phenyl]benzonitrile.

Molecular Properties

Compound Name3-[2,5-bis(2-carbazol-9-ylpropan-2-yl)-3-(3-cyanophenyl)-4,6-di(phenoxazin-10-yl)phenyl]benzonitrile
PubChem CID148741443
Molecular FormulaC74H52N6O2
Molecular Weight1057.27 g/mol
Exact Mass1056.42
IUPAC Name3-[2,5-bis(2-carbazol-9-ylpropan-2-yl)-3-(3-cyanophenyl)-4,6-di(phenoxazin-10-yl)phenyl]benzonitrile
SMILESCC(C)(c1c(-c2cccc(C#N)c2)c(N2c3ccccc3Oc3ccccc32)c(C(C)(C)n2c3ccccc3c3ccccc32)c(N2c3ccccc3Oc3ccccc32)c1-c1cccc(C#N)c1)n1c2ccccc2c2ccccc21
InChIInChI=1S/C74H52N6O2/c1-73(2,79-55-31-9-5-27-51(55)52-28-6-10-32-56(52)79)69-67(49-25-21-23-47(43-49)45-75)71(77-59-35-13-17-39-63(59)81-64-40-18-14-36-60(64)77)70(74(3,4)80-57-33-11-7-29-53(57)54-30-8-12-34-58(54)80)72(68(69)50-26-22-24-48(44-50)46-76)78-61-37-15-19-41-65(61)82-66-42-20-16-38-62(66)78/h5-44H,1-4H3
InChIKeyOCXPHZRKPSMKGO-UHFFFAOYSA-N
XLogP19.70
TPSA82.38 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001057.27
LogP ≤ 519.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

3-[2-(2-carbazol-9-ylpropan-2-yl)-3-(3-cyanophenyl)-4,6-di(phenoxazin-10-yl)phenyl]benzonitrile
CID 147400312
3-[2-(2-carbazol-9-ylpropan-2-yl)-3-(3-cyanophenyl)-4,6-bis(3,6-dimethylcarbazol-9-yl)phenyl]benzonitrile
CID 139552696
3-[5-(3-cyanophenyl)-3-methyl-2,4-di(phenoxazin-10-yl)phenyl]benzonitrile
CID 139553033
3-[4,6-bis([1]benzofuro[3,2-c]carbazol-5-yl)-2-(2-carbazol-9-ylpropan-2-yl)-3-(3-cyanophenyl)phenyl]benzonitrile
CID 139552689
3-[2,5-di(carbazol-9-yl)-3-(3-cyanophenyl)-4,6-dimethylphenyl]benzonitrile
CID 139554104
3,5-di(carbazol-9-yl)-4-(2-phenoxazin-10-ylphenyl)-2,6-diphenylbenzonitrile
CID 137369277
3-[3-(3-cyanophenyl)-2,5-dicyclohexyl-4-phenothiazin-10-yl-6-phenoxazin-10-ylphenyl]benzonitrile
CID 139553090
3-[2,4,6-tri(carbazol-9-yl)-3,5-bis(3,6-diphenylcarbazol-9-yl)phenyl]benzonitrile
CID 146614802
3-[3-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)phenyl]-5-(4-phenylphenyl)benzonitrile
CID 138612462
3-[2,3-di(carbazol-9-yl)-4-(3-cyanophenyl)phenyl]benzonitrile
CID 135136163
2-phenoxazin-10-ylbenzene-1,3-dicarbonitrile
CID 145009760
3-[3-[4,6-bis[4-(3-cyanophenyl)-2-phenoxazin-10-ylphenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 170133824

Frequently Asked Questions

What is the IUPAC name of 3-[2,5-bis(2-carbazol-9-ylpropan-2-yl)-3-(3-cyanophenyl)-4,6-di(phenoxazin-10-yl)phenyl]benzonitrile?
The IUPAC name of 3-[2,5-bis(2-carbazol-9-ylpropan-2-yl)-3-(3-cyanophenyl)-4,6-di(phenoxazin-10-yl)phenyl]benzonitrile (CID 148741443) is 3-[2,5-bis(2-carbazol-9-ylpropan-2-yl)-3-(3-cyanophenyl)-4,6-di(phenoxazin-10-yl)phenyl]benzonitrile.
What is the SMILES notation for 3-[2,5-bis(2-carbazol-9-ylpropan-2-yl)-3-(3-cyanophenyl)-4,6-di(phenoxazin-10-yl)phenyl]benzonitrile?
The canonical SMILES for 3-[2,5-bis(2-carbazol-9-ylpropan-2-yl)-3-(3-cyanophenyl)-4,6-di(phenoxazin-10-yl)phenyl]benzonitrile is CC(C)(c1c(-c2cccc(C#N)c2)c(N2c3ccccc3Oc3ccccc32)c(C(C)(C)n2c3ccccc3c3ccccc32)c(N2c3ccccc3Oc3ccccc32)c1-c1cccc(C#N)c1)n1c2ccccc2c2ccccc21.
What is the InChIKey of 3-[2,5-bis(2-carbazol-9-ylpropan-2-yl)-3-(3-cyanophenyl)-4,6-di(phenoxazin-10-yl)phenyl]benzonitrile?
The InChIKey is OCXPHZRKPSMKGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H52N6O2/c1-73(2,79-55-31-9-5-27-51(55)52-28-6-10-32-56(52)79)69-67(49-25-21-23-47(43-49)45-75)71(77-59-35-13-17-39-63(59)81-64-40-18-14-36-60(64)77)70(74(3,4)80-57-33-11-7-29-53(57)54-30-8-12-34-58(54)80)72(68(69)50-26-22-24-48(44-50)46-76)78-61-37-15-19-41-65(61)82-66-42-20-16-38-62(66)78/h5-44H,1-4H3.
What are the key properties of 3-[2,5-bis(2-carbazol-9-ylpropan-2-yl)-3-(3-cyanophenyl)-4,6-di(phenoxazin-10-yl)phenyl]benzonitrile?
3-[2,5-bis(2-carbazol-9-ylpropan-2-yl)-3-(3-cyanophenyl)-4,6-di(phenoxazin-10-yl)phenyl]benzonitrile has a molecular weight of 1057.27 g/mol, XLogP of 19.70, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,5-bis(2-carbazol-9-ylpropan-2-yl)-3-(3-cyanophenyl)-4,6-di(phenoxazin-10-yl)phenyl]benzonitrile is sourced from PubChem (CID 148741443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).