4-carbazol-9-yl-3,5-bis(9,9-dimethyl-10-phenylacridin-3-yl)-2,6-diphenylbenzonitrile

C73H54N4 — CID 137368773

IUPAC4-carbazol-9-yl-3,5-bis(9,9-dimethyl-10-phenylacridin-3-yl)-2,6-diphenylbenzonitrile
SMILESCC1(C)c2ccccc2N(c2ccccc2)c2cc(-c3c(-c4ccccc4)c(C#N)c(-c4ccccc4)c(-c4ccc5c(c4)N(c4ccccc4)c4ccccc4C5(C)C)c3-n3c4ccccc4c4ccccc43)ccc21
InChIInChI=1S/C73H54N4/c1-72(2)57-35-19-23-39-63(57)75(52-29-13-7-14-30-52)65-45-50(41-43-59(65)72)69-67(48-25-9-5-10-26-48)56(47-74)68(49-27-11-6-12-28-49)70(71(69)77-61-37-21-17-33-54(61)55-34-18-22-38-62(55)77)51-42-44-60-66(46-51)76(53-31-15-8-16-32-53)64-40-24-20-36-58(64)73(60,3)4/h5-46H,1-4H3
InChIKeyLTSYNBMNXSVXGS-UHFFFAOYSA-N
MW987.26 g/mol
LogP19.54
Rot. Bonds7

About 4-carbazol-9-yl-3,5-bis(9,9-dimethyl-10-phenylacridin-3-yl)-2,6-diphenylbenzonitrile

4-carbazol-9-yl-3,5-bis(9,9-dimethyl-10-phenylacridin-3-yl)-2,6-diphenylbenzonitrile (PubChem CID 137368773) has the molecular formula C73H54N4 and a molecular weight of 987.26 g/mol. Its IUPAC name is 4-carbazol-9-yl-3,5-bis(9,9-dimethyl-10-phenylacridin-3-yl)-2,6-diphenylbenzonitrile.

Molecular Properties

Compound Name4-carbazol-9-yl-3,5-bis(9,9-dimethyl-10-phenylacridin-3-yl)-2,6-diphenylbenzonitrile
PubChem CID137368773
Molecular FormulaC73H54N4
Molecular Weight987.26 g/mol
Exact Mass986.43
IUPAC Name4-carbazol-9-yl-3,5-bis(9,9-dimethyl-10-phenylacridin-3-yl)-2,6-diphenylbenzonitrile
SMILESCC1(C)c2ccccc2N(c2ccccc2)c2cc(-c3c(-c4ccccc4)c(C#N)c(-c4ccccc4)c(-c4ccc5c(c4)N(c4ccccc4)c4ccccc4C5(C)C)c3-n3c4ccccc4c4ccccc43)ccc21
InChIInChI=1S/C73H54N4/c1-72(2)57-35-19-23-39-63(57)75(52-29-13-7-14-30-52)65-45-50(41-43-59(65)72)69-67(48-25-9-5-10-26-48)56(47-74)68(49-27-11-6-12-28-49)70(71(69)77-61-37-21-17-33-54(61)55-34-18-22-38-62(55)77)51-42-44-60-66(46-51)76(53-31-15-8-16-32-53)64-40-24-20-36-58(64)73(60,3)4/h5-46H,1-4H3
InChIKeyLTSYNBMNXSVXGS-UHFFFAOYSA-N
XLogP19.54
TPSA35.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500987.26
LogP ≤ 519.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,3,5,6-tetrakis(9-phenylcarbazol-3-yl)benzene-1,4-dicarbonitrile
CID 164744316
2-[4-(21,21-dimethyl-14-phenyl-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-10-yl)-3,5-diphenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile
CID 163587903
10-[4-(3-carbazol-9-ylphenyl)phenyl]-9,9-dimethylacridine
CID 169006724
5-(21,21-dimethyl-14-phenyl-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-10-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)benzene-1,3-dicarbonitrile
CID 147984764
3-(9,9-dimethyl-10-phenylacridin-3-yl)-9,9-dimethyl-10-phenylacridine
CID 58489784
2-[3-(14,14-dimethyl-21-phenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-10-yl)-5-phenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile
CID 163823475
2,5-bis(6-carbazol-9-yl-9,9-dimethylfluoren-3-yl)-4-isocyano-3,6-diphenylbenzonitrile
CID 154596877
2,5-bis(4-carbazol-9-yl-3-methylphenyl)-6-isocyano-3,4-diphenylbenzonitrile;4,5-bis(4-carbazol-9-ylphenyl)-2-isocyano-3,6-diphenylbenzonitrile;2,5-bis[4-(9,9-dimethylacridin-10-yl)phenyl]-6-isocyano-3,4-diphenylbenzonitrile;4,5-bis[4-(9,9-dimethylacridin-10-yl)phenyl]-2-isocyano-3,6-diphenylbenzonitrile;2-isocyano-3,6-bis(4-phenoxazin-10-ylphenyl)-4,5-diphenylbenzonitrile;2-isocyano-3,4,5,6-tetrakis[4-(N-phenylanilino)phenyl]benzonitrile
CID 158436326
2,5-bis(4-carbazol-9-yl-3-methylphenyl)-6-isocyano-3,4-diphenylbenzonitrile;4,5-bis(4-carbazol-9-ylphenyl)-2-isocyano-3,6-diphenylbenzonitrile;2,5-bis[4-(9,9-dimethylacridin-10-yl)phenyl]-6-isocyano-3,4-diphenylbenzonitrile;4,5-bis[4-(9,9-dimethylacridin-10-yl)phenyl]-2-isocyano-3,6-diphenylbenzonitrile;2-isocyano-3,6-bis(4-phenoxazin-10-ylphenyl)-4,5-diphenylbenzonitrile;2-isocyano-4,5-bis(4-phenoxazin-10-ylphenyl)-3,6-diphenylbenzonitrile;2-isocyano-3,6-diphenyl-4,5-bis[4-(N-phenylanilino)phenyl]benzonitrile
CID 158326808
2,6-bis(2-carbazol-9-ylphenyl)-4-(3,6-diphenylcarbazol-9-yl)-3,5-diphenylbenzonitrile
CID 137368880
10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethyl-2-(9-phenylcarbazol-3-yl)acridine
CID 118528312
2-(2-carbazol-9-ylphenyl)-4-(9,9-dimethyl-10-phenylacridin-2-yl)benzonitrile
CID 167401892

Frequently Asked Questions

What is the IUPAC name of 4-carbazol-9-yl-3,5-bis(9,9-dimethyl-10-phenylacridin-3-yl)-2,6-diphenylbenzonitrile?
The IUPAC name of 4-carbazol-9-yl-3,5-bis(9,9-dimethyl-10-phenylacridin-3-yl)-2,6-diphenylbenzonitrile (CID 137368773) is 4-carbazol-9-yl-3,5-bis(9,9-dimethyl-10-phenylacridin-3-yl)-2,6-diphenylbenzonitrile.
What is the SMILES notation for 4-carbazol-9-yl-3,5-bis(9,9-dimethyl-10-phenylacridin-3-yl)-2,6-diphenylbenzonitrile?
The canonical SMILES for 4-carbazol-9-yl-3,5-bis(9,9-dimethyl-10-phenylacridin-3-yl)-2,6-diphenylbenzonitrile is CC1(C)c2ccccc2N(c2ccccc2)c2cc(-c3c(-c4ccccc4)c(C#N)c(-c4ccccc4)c(-c4ccc5c(c4)N(c4ccccc4)c4ccccc4C5(C)C)c3-n3c4ccccc4c4ccccc43)ccc21.
What is the InChIKey of 4-carbazol-9-yl-3,5-bis(9,9-dimethyl-10-phenylacridin-3-yl)-2,6-diphenylbenzonitrile?
The InChIKey is LTSYNBMNXSVXGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H54N4/c1-72(2)57-35-19-23-39-63(57)75(52-29-13-7-14-30-52)65-45-50(41-43-59(65)72)69-67(48-25-9-5-10-26-48)56(47-74)68(49-27-11-6-12-28-49)70(71(69)77-61-37-21-17-33-54(61)55-34-18-22-38-62(55)77)51-42-44-60-66(46-51)76(53-31-15-8-16-32-53)64-40-24-20-36-58(64)73(60,3)4/h5-46H,1-4H3.
What are the key properties of 4-carbazol-9-yl-3,5-bis(9,9-dimethyl-10-phenylacridin-3-yl)-2,6-diphenylbenzonitrile?
4-carbazol-9-yl-3,5-bis(9,9-dimethyl-10-phenylacridin-3-yl)-2,6-diphenylbenzonitrile has a molecular weight of 987.26 g/mol, XLogP of 19.54, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-carbazol-9-yl-3,5-bis(9,9-dimethyl-10-phenylacridin-3-yl)-2,6-diphenylbenzonitrile is sourced from PubChem (CID 137368773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).