2,3,5-tri(carbazol-9-yl)-6-(2,7-diphenylcarbazol-9-yl)-4-phenylbenzonitrile

C73H45N5 — CID 167015423

IUPAC2,3,5-tri(carbazol-9-yl)-6-(2,7-diphenylcarbazol-9-yl)-4-phenylbenzonitrile
SMILESN#Cc1c(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3ccccc32)c(-c2ccccc2)c(-n2c3ccccc3c3ccccc32)c1-n1c2cc(-c3ccccc3)ccc2c2ccc(-c3ccccc3)cc21
InChIInChI=1S/C73H45N5/c74-46-60-70(75-61-34-16-10-28-52(61)53-29-11-17-35-62(53)75)72(76-63-36-18-12-30-54(63)55-31-13-19-37-64(55)76)69(49-26-8-3-9-27-49)73(77-65-38-20-14-32-56(65)57-33-15-21-39-66(57)77)71(60)78-67-44-50(47-22-4-1-5-23-47)40-42-58(67)59-43-41-51(45-68(59)78)48-24-6-2-7-25-48/h1-45H
InChIKeyOUFVVDPWCHLJFM-UHFFFAOYSA-N
MW992.20 g/mol
LogP18.95
Rot. Bonds7

About 2,3,5-tri(carbazol-9-yl)-6-(2,7-diphenylcarbazol-9-yl)-4-phenylbenzonitrile

2,3,5-tri(carbazol-9-yl)-6-(2,7-diphenylcarbazol-9-yl)-4-phenylbenzonitrile (PubChem CID 167015423) has the molecular formula C73H45N5 and a molecular weight of 992.20 g/mol. Its IUPAC name is 2,3,5-tri(carbazol-9-yl)-6-(2,7-diphenylcarbazol-9-yl)-4-phenylbenzonitrile.

Molecular Properties

Compound Name2,3,5-tri(carbazol-9-yl)-6-(2,7-diphenylcarbazol-9-yl)-4-phenylbenzonitrile
PubChem CID167015423
Molecular FormulaC73H45N5
Molecular Weight992.20 g/mol
Exact Mass991.37
IUPAC Name2,3,5-tri(carbazol-9-yl)-6-(2,7-diphenylcarbazol-9-yl)-4-phenylbenzonitrile
SMILESN#Cc1c(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3ccccc32)c(-c2ccccc2)c(-n2c3ccccc3c3ccccc32)c1-n1c2cc(-c3ccccc3)ccc2c2ccc(-c3ccccc3)cc21
InChIInChI=1S/C73H45N5/c74-46-60-70(75-61-34-16-10-28-52(61)53-29-11-17-35-62(53)75)72(76-63-36-18-12-30-54(63)55-31-13-19-37-64(55)76)69(49-26-8-3-9-27-49)73(77-65-38-20-14-32-56(65)57-33-15-21-39-66(57)77)71(60)78-67-44-50(47-22-4-1-5-23-47)40-42-58(67)59-43-41-51(45-68(59)78)48-24-6-2-7-25-48/h1-45H
InChIKeyOUFVVDPWCHLJFM-UHFFFAOYSA-N
XLogP18.95
TPSA43.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500992.20
LogP ≤ 518.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-di(carbazol-9-yl)-4,6-bis(3,6-diphenylcarbazol-9-yl)benzene-1,3-dicarbonitrile
CID 167015442
4,5-di(carbazol-9-yl)-3,6-diphenylbenzene-1,2-dicarbonitrile
CID 154596882
4-dibenzothiophen-1-yl-2,3,5,6-tetrakis(2-phenylcarbazol-9-yl)benzonitrile
CID 139368530
5-[2,4,6-tri(carbazol-9-yl)-3,5-diphenylphenyl]benzene-1,3-dicarbonitrile
CID 135135988
2,6-di(carbazol-9-yl)-4-(2,6-dimethylphenyl)-3,5-bis(3,6-diphenylcarbazol-9-yl)benzonitrile
CID 146631082
3,4,5-tri(carbazol-9-yl)-2,6-diphenylbenzonitrile
CID 139441874
2,6-di(carbazol-9-yl)-3,5-bis(3,6-ditert-butylcarbazol-9-yl)-4-phenylbenzonitrile
CID 137369191
2,6-di(carbazol-9-yl)-4-phenyl-3,5-bis(9-phenyl-[1]benzothiolo[3,2-c]carbazol-5-yl)benzonitrile
CID 170001442
2,3,6-tri(carbazol-9-yl)-4-phenyl-5-(2-phenyl-[1]benzofuro[3,2-c]carbazol-5-yl)benzonitrile
CID 170670798
4-(2-carbazol-9-ylphenyl)-2,3,5,6-tetrakis(3-phenylcarbazol-9-yl)benzonitrile
CID 139507138
3,5-bis(3,6-diphenylcarbazol-9-yl)-2,4,6-triphenylbenzonitrile
CID 137369312
2,6-di(carbazol-9-yl)-4-phenyl-3,5-bis(9-phenyl-[1]benzothiolo[3,2-a]carbazol-12-yl)benzonitrile
CID 170001445

Frequently Asked Questions

What is the IUPAC name of 2,3,5-tri(carbazol-9-yl)-6-(2,7-diphenylcarbazol-9-yl)-4-phenylbenzonitrile?
The IUPAC name of 2,3,5-tri(carbazol-9-yl)-6-(2,7-diphenylcarbazol-9-yl)-4-phenylbenzonitrile (CID 167015423) is 2,3,5-tri(carbazol-9-yl)-6-(2,7-diphenylcarbazol-9-yl)-4-phenylbenzonitrile.
What is the SMILES notation for 2,3,5-tri(carbazol-9-yl)-6-(2,7-diphenylcarbazol-9-yl)-4-phenylbenzonitrile?
The canonical SMILES for 2,3,5-tri(carbazol-9-yl)-6-(2,7-diphenylcarbazol-9-yl)-4-phenylbenzonitrile is N#Cc1c(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3ccccc32)c(-c2ccccc2)c(-n2c3ccccc3c3ccccc32)c1-n1c2cc(-c3ccccc3)ccc2c2ccc(-c3ccccc3)cc21.
What is the InChIKey of 2,3,5-tri(carbazol-9-yl)-6-(2,7-diphenylcarbazol-9-yl)-4-phenylbenzonitrile?
The InChIKey is OUFVVDPWCHLJFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H45N5/c74-46-60-70(75-61-34-16-10-28-52(61)53-29-11-17-35-62(53)75)72(76-63-36-18-12-30-54(63)55-31-13-19-37-64(55)76)69(49-26-8-3-9-27-49)73(77-65-38-20-14-32-56(65)57-33-15-21-39-66(57)77)71(60)78-67-44-50(47-22-4-1-5-23-47)40-42-58(67)59-43-41-51(45-68(59)78)48-24-6-2-7-25-48/h1-45H.
What are the key properties of 2,3,5-tri(carbazol-9-yl)-6-(2,7-diphenylcarbazol-9-yl)-4-phenylbenzonitrile?
2,3,5-tri(carbazol-9-yl)-6-(2,7-diphenylcarbazol-9-yl)-4-phenylbenzonitrile has a molecular weight of 992.20 g/mol, XLogP of 18.95, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-tri(carbazol-9-yl)-6-(2,7-diphenylcarbazol-9-yl)-4-phenylbenzonitrile is sourced from PubChem (CID 167015423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).