4-benzoyl-6-[2,8-bis(2,6-dimethylphenyl)-10-phenylphenazin-5-yl]-1,1,3,3-tetrafluoro-7-(3-phenylcarbazol-9-yl)-2H-indene-5-carbonitrile

C69H48F4N4O — CID 122609894

IUPAC4-benzoyl-6-[2,8-bis(2,6-dimethylphenyl)-10-phenylphenazin-5-yl]-1,1,3,3-tetrafluoro-7-(3-phenylcarbazol-9-yl)-2H-indene-5-carbonitrile
SMILESCc1cccc(C)c1-c1ccc2c(c1)N(c1ccccc1)c1cc(-c3c(C)cccc3C)ccc1N2c1c(C#N)c(C(=O)c2ccccc2)c2c(c1-n1c3ccccc3c3cc(-c4ccccc4)ccc31)C(F)(F)CC2(F)F
InChIInChI=1S/C69H48F4N4O/c1-41-18-16-19-42(2)60(41)48-31-34-56-58(37-48)75(50-26-12-7-13-27-50)59-38-49(61-43(3)20-17-21-44(61)4)32-35-57(59)77(56)65-53(39-74)62(67(78)46-24-10-6-11-25-46)63-64(69(72,73)40-68(63,70)71)66(65)76-54-29-15-14-28-51(54)52-36-47(30-33-55(52)76)45-22-8-5-9-23-45/h5-38H,40H2,1-4H3
InChIKeyBQXVFFJXGGKYPO-UHFFFAOYSA-N
MW1025.16 g/mol
LogP18.96
Rot. Bonds8

About 4-benzoyl-6-[2,8-bis(2,6-dimethylphenyl)-10-phenylphenazin-5-yl]-1,1,3,3-tetrafluoro-7-(3-phenylcarbazol-9-yl)-2H-indene-5-carbonitrile

4-benzoyl-6-[2,8-bis(2,6-dimethylphenyl)-10-phenylphenazin-5-yl]-1,1,3,3-tetrafluoro-7-(3-phenylcarbazol-9-yl)-2H-indene-5-carbonitrile (PubChem CID 122609894) has the molecular formula C69H48F4N4O and a molecular weight of 1025.16 g/mol. Its IUPAC name is 4-benzoyl-6-[2,8-bis(2,6-dimethylphenyl)-10-phenylphenazin-5-yl]-1,1,3,3-tetrafluoro-7-(3-phenylcarbazol-9-yl)-2H-indene-5-carbonitrile.

Molecular Properties

Compound Name4-benzoyl-6-[2,8-bis(2,6-dimethylphenyl)-10-phenylphenazin-5-yl]-1,1,3,3-tetrafluoro-7-(3-phenylcarbazol-9-yl)-2H-indene-5-carbonitrile
PubChem CID122609894
Molecular FormulaC69H48F4N4O
Molecular Weight1025.16 g/mol
Exact Mass1024.38
IUPAC Name4-benzoyl-6-[2,8-bis(2,6-dimethylphenyl)-10-phenylphenazin-5-yl]-1,1,3,3-tetrafluoro-7-(3-phenylcarbazol-9-yl)-2H-indene-5-carbonitrile
SMILESCc1cccc(C)c1-c1ccc2c(c1)N(c1ccccc1)c1cc(-c3c(C)cccc3C)ccc1N2c1c(C#N)c(C(=O)c2ccccc2)c2c(c1-n1c3ccccc3c3cc(-c4ccccc4)ccc31)C(F)(F)CC2(F)F
InChIInChI=1S/C69H48F4N4O/c1-41-18-16-19-42(2)60(41)48-31-34-56-58(37-48)75(50-26-12-7-13-27-50)59-38-49(61-43(3)20-17-21-44(61)4)32-35-57(59)77(56)65-53(39-74)62(67(78)46-24-10-6-11-25-46)63-64(69(72,73)40-68(63,70)71)66(65)76-54-29-15-14-28-51(54)52-36-47(30-33-55(52)76)45-22-8-5-9-23-45/h5-38H,40H2,1-4H3
InChIKeyBQXVFFJXGGKYPO-UHFFFAOYSA-N
XLogP18.96
TPSA52.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001025.16
LogP ≤ 518.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,6-di(carbazol-9-yl)-4-(2,6-dimethylphenyl)-3,5-bis(3,6-diphenylcarbazol-9-yl)benzonitrile
CID 146631082
3-[3-(6,9-diphenylcarbazol-3-yl)-6-phenylcarbazol-9-yl]benzene-1,2-dicarbonitrile
CID 122414420
11-carbazol-9-yl-4,8,14,18-tetraphenyl-1,8,14-triazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene
CID 171467608
4-carbazol-9-yl-3,5-bis(9,9-dimethyl-10-phenylacridin-3-yl)-2,6-diphenylbenzonitrile
CID 137368773
2,5-di(carbazol-9-yl)-4,6-bis(3,6-diphenylcarbazol-9-yl)benzene-1,3-dicarbonitrile
CID 167015442
2,3,5,6-tetrakis(9-phenylcarbazol-3-yl)benzene-1,4-dicarbonitrile
CID 164744316
2,6-bis(2-carbazol-9-ylphenyl)-4-(3,6-diphenylcarbazol-9-yl)-3,5-diphenylbenzonitrile
CID 137368880
4-(2-carbazol-9-ylphenyl)-2,3,5,6-tetrakis(3-phenylcarbazol-9-yl)benzonitrile
CID 139507138
5-phenyl-10-[2,3,5,6-tetra(carbazol-9-yl)-4-(3-methylphenyl)phenyl]phenazine
CID 165044371
1,3-bis(3,6-diphenylcarbazol-9-yl)-9-phenylcarbazole-2-carbonitrile
CID 155131662
2-(6,9-diphenylcarbazol-2-yl)benzene-1,3-dicarbonitrile
CID 155357795
4-[4-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile
CID 126747004

Frequently Asked Questions

What is the IUPAC name of 4-benzoyl-6-[2,8-bis(2,6-dimethylphenyl)-10-phenylphenazin-5-yl]-1,1,3,3-tetrafluoro-7-(3-phenylcarbazol-9-yl)-2H-indene-5-carbonitrile?
The IUPAC name of 4-benzoyl-6-[2,8-bis(2,6-dimethylphenyl)-10-phenylphenazin-5-yl]-1,1,3,3-tetrafluoro-7-(3-phenylcarbazol-9-yl)-2H-indene-5-carbonitrile (CID 122609894) is 4-benzoyl-6-[2,8-bis(2,6-dimethylphenyl)-10-phenylphenazin-5-yl]-1,1,3,3-tetrafluoro-7-(3-phenylcarbazol-9-yl)-2H-indene-5-carbonitrile.
What is the SMILES notation for 4-benzoyl-6-[2,8-bis(2,6-dimethylphenyl)-10-phenylphenazin-5-yl]-1,1,3,3-tetrafluoro-7-(3-phenylcarbazol-9-yl)-2H-indene-5-carbonitrile?
The canonical SMILES for 4-benzoyl-6-[2,8-bis(2,6-dimethylphenyl)-10-phenylphenazin-5-yl]-1,1,3,3-tetrafluoro-7-(3-phenylcarbazol-9-yl)-2H-indene-5-carbonitrile is Cc1cccc(C)c1-c1ccc2c(c1)N(c1ccccc1)c1cc(-c3c(C)cccc3C)ccc1N2c1c(C#N)c(C(=O)c2ccccc2)c2c(c1-n1c3ccccc3c3cc(-c4ccccc4)ccc31)C(F)(F)CC2(F)F.
What is the InChIKey of 4-benzoyl-6-[2,8-bis(2,6-dimethylphenyl)-10-phenylphenazin-5-yl]-1,1,3,3-tetrafluoro-7-(3-phenylcarbazol-9-yl)-2H-indene-5-carbonitrile?
The InChIKey is BQXVFFJXGGKYPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H48F4N4O/c1-41-18-16-19-42(2)60(41)48-31-34-56-58(37-48)75(50-26-12-7-13-27-50)59-38-49(61-43(3)20-17-21-44(61)4)32-35-57(59)77(56)65-53(39-74)62(67(78)46-24-10-6-11-25-46)63-64(69(72,73)40-68(63,70)71)66(65)76-54-29-15-14-28-51(54)52-36-47(30-33-55(52)76)45-22-8-5-9-23-45/h5-38H,40H2,1-4H3.
What are the key properties of 4-benzoyl-6-[2,8-bis(2,6-dimethylphenyl)-10-phenylphenazin-5-yl]-1,1,3,3-tetrafluoro-7-(3-phenylcarbazol-9-yl)-2H-indene-5-carbonitrile?
4-benzoyl-6-[2,8-bis(2,6-dimethylphenyl)-10-phenylphenazin-5-yl]-1,1,3,3-tetrafluoro-7-(3-phenylcarbazol-9-yl)-2H-indene-5-carbonitrile has a molecular weight of 1025.16 g/mol, XLogP of 18.96, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzoyl-6-[2,8-bis(2,6-dimethylphenyl)-10-phenylphenazin-5-yl]-1,1,3,3-tetrafluoro-7-(3-phenylcarbazol-9-yl)-2H-indene-5-carbonitrile is sourced from PubChem (CID 122609894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).