4-[3-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazol-9-yl]benzonitrile;9-[4-(3-phenylphenyl)phenyl]-3-[9-(3-tritylphenyl)-9H-fluoren-3-yl]carbazole

C117H78N4 — CID 157164036

IUPAC4-[3-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazol-9-yl]benzonitrile;9-[4-(3-phenylphenyl)phenyl]-3-[9-(3-tritylphenyl)-9H-fluoren-3-yl]carbazole
SMILESN#Cc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5cccc(-c6ccccc6)c5)cc4)ccc32)cc1.c1ccc(-c2cccc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)-c6ccccc6C7c6cccc(C(c7ccccc7)(c7ccccc7)c7ccccc7)c6)ccc54)cc3)c2)cc1
InChIInChI=1S/C68H47N.C49H31N3/c1-5-19-47(20-6-1)49-21-17-22-50(43-49)48-35-39-58(40-36-48)69-65-34-16-15-32-60(65)64-46-52(38-42-66(64)69)51-37-41-62-63(45-51)59-31-13-14-33-61(59)67(62)53-23-18-30-57(44-53)68(54-24-7-2-8-25-54,55-26-9-3-10-27-55)56-28-11-4-12-29-56;50-32-33-17-23-40(24-18-33)51-46-15-6-4-13-42(46)44-30-38(21-27-48(44)51)39-22-28-49-45(31-39)43-14-5-7-16-47(43)52(49)41-25-19-35(20-26-41)37-12-8-11-36(29-37)34-9-2-1-3-10-34/h1-46,67H;1-31H
InChIKeyAMRYBLSYHUDODU-UHFFFAOYSA-N
MW1539.94 g/mol
LogP30.08
Rot. Bonds14

About 4-[3-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazol-9-yl]benzonitrile;9-[4-(3-phenylphenyl)phenyl]-3-[9-(3-tritylphenyl)-9H-fluoren-3-yl]carbazole

4-[3-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazol-9-yl]benzonitrile;9-[4-(3-phenylphenyl)phenyl]-3-[9-(3-tritylphenyl)-9H-fluoren-3-yl]carbazole (PubChem CID 157164036) has the molecular formula C117H78N4 and a molecular weight of 1539.94 g/mol. Its IUPAC name is 4-[3-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazol-9-yl]benzonitrile;9-[4-(3-phenylphenyl)phenyl]-3-[9-(3-tritylphenyl)-9H-fluoren-3-yl]carbazole.

Molecular Properties

Compound Name4-[3-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazol-9-yl]benzonitrile;9-[4-(3-phenylphenyl)phenyl]-3-[9-(3-tritylphenyl)-9H-fluoren-3-yl]carbazole
PubChem CID157164036
Molecular FormulaC117H78N4
Molecular Weight1539.94 g/mol
Exact Mass1538.62
IUPAC Name4-[3-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazol-9-yl]benzonitrile;9-[4-(3-phenylphenyl)phenyl]-3-[9-(3-tritylphenyl)-9H-fluoren-3-yl]carbazole
SMILESN#Cc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5cccc(-c6ccccc6)c5)cc4)ccc32)cc1.c1ccc(-c2cccc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)-c6ccccc6C7c6cccc(C(c7ccccc7)(c7ccccc7)c7ccccc7)c6)ccc54)cc3)c2)cc1
InChIInChI=1S/C68H47N.C49H31N3/c1-5-19-47(20-6-1)49-21-17-22-50(43-49)48-35-39-58(40-36-48)69-65-34-16-15-32-60(65)64-46-52(38-42-66(64)69)51-37-41-62-63(45-51)59-31-13-14-33-61(59)67(62)53-23-18-30-57(44-53)68(54-24-7-2-8-25-54,55-26-9-3-10-27-55)56-28-11-4-12-29-56;50-32-33-17-23-40(24-18-33)51-46-15-6-4-13-42(46)44-30-38(21-27-48(44)51)39-22-28-49-45(31-39)43-14-5-7-16-47(43)52(49)41-25-19-35(20-26-41)37-12-8-11-36(29-37)34-9-2-1-3-10-34/h1-46,67H;1-31H
InChIKeyAMRYBLSYHUDODU-UHFFFAOYSA-N
XLogP30.08
TPSA38.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms121
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001539.94
LogP ≤ 530.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 4-[3-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazol-9-yl]benzonitrile;9-[4-(3-phenylphenyl)phenyl]-3-[9-(3-tritylphenyl)-9H-fluoren-3-yl]carbazole with MolForge

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Related Compounds

3-[9-[3-(4-carbazol-9-ylphenyl)phenyl]-9H-fluoren-3-yl]-9-phenylcarbazole
CID 170060039
3-(9-phenyl-9H-fluoren-3-yl)-9-(4-phenylphenyl)carbazole
CID 170253658
9-[4-(10-phenylanthracen-9-yl)phenyl]-3-[9-[3-(trifluoromethyl)phenyl]-9H-fluoren-3-yl]carbazole
CID 88567746
3-[4-[(9R)-3-(3-carbazol-9-ylphenyl)-9H-fluoren-9-yl]phenyl]-9-(4-phenylphenyl)carbazole
CID 170074676
9-phenyl-3-[3-(9-phenylcarbazol-3-yl)-9H-fluoren-9-yl]carbazole
CID 118423662
4-[4-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile
CID 129065173
3-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]-9-(4-tritylphenyl)carbazole
CID 130231251
4-[4-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile
CID 126747004
4-[4-[3,6-bis(4-phenylphenyl)carbazol-9-yl]phenyl]benzonitrile
CID 118632433
3-[4-(9H-fluoren-9-yl)phenyl]-9-[4-[9-[(4-phenylphenyl)methyl]-9H-fluoren-3-yl]phenyl]carbazole
CID 170064226
3-[9-(3-dibenzofuran-2-ylphenyl)-9H-fluoren-3-yl]-9-phenylcarbazole
CID 126753873
5-naphthalen-2-yl-11-phenyl-2-[9-(3-phenylphenyl)carbazol-3-yl]indolo[3,2-b]carbazole;5-naphthalen-2-yl-7-phenyl-2-[9-(3-phenylphenyl)-9H-fluoren-3-yl]-7H-indeno[2,1-b]carbazole
CID 157209496

Frequently Asked Questions

What is the IUPAC name of 4-[3-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazol-9-yl]benzonitrile;9-[4-(3-phenylphenyl)phenyl]-3-[9-(3-tritylphenyl)-9H-fluoren-3-yl]carbazole?
The IUPAC name of 4-[3-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazol-9-yl]benzonitrile;9-[4-(3-phenylphenyl)phenyl]-3-[9-(3-tritylphenyl)-9H-fluoren-3-yl]carbazole (CID 157164036) is 4-[3-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazol-9-yl]benzonitrile;9-[4-(3-phenylphenyl)phenyl]-3-[9-(3-tritylphenyl)-9H-fluoren-3-yl]carbazole.
What is the SMILES notation for 4-[3-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazol-9-yl]benzonitrile;9-[4-(3-phenylphenyl)phenyl]-3-[9-(3-tritylphenyl)-9H-fluoren-3-yl]carbazole?
The canonical SMILES for 4-[3-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazol-9-yl]benzonitrile;9-[4-(3-phenylphenyl)phenyl]-3-[9-(3-tritylphenyl)-9H-fluoren-3-yl]carbazole is N#Cc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5cccc(-c6ccccc6)c5)cc4)ccc32)cc1.c1ccc(-c2cccc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)-c6ccccc6C7c6cccc(C(c7ccccc7)(c7ccccc7)c7ccccc7)c6)ccc54)cc3)c2)cc1.
What is the InChIKey of 4-[3-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazol-9-yl]benzonitrile;9-[4-(3-phenylphenyl)phenyl]-3-[9-(3-tritylphenyl)-9H-fluoren-3-yl]carbazole?
The InChIKey is AMRYBLSYHUDODU-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H47N.C49H31N3/c1-5-19-47(20-6-1)49-21-17-22-50(43-49)48-35-39-58(40-36-48)69-65-34-16-15-32-60(65)64-46-52(38-42-66(64)69)51-37-41-62-63(45-51)59-31-13-14-33-61(59)67(62)53-23-18-30-57(44-53)68(54-24-7-2-8-25-54,55-26-9-3-10-27-55)56-28-11-4-12-29-56;50-32-33-17-23-40(24-18-33)51-46-15-6-4-13-42(46)44-30-38(21-27-48(44)51)39-22-28-49-45(31-39)43-14-5-7-16-47(43)52(49)41-25-19-35(20-26-41)37-12-8-11-36(29-37)34-9-2-1-3-10-34/h1-46,67H;1-31H.
What are the key properties of 4-[3-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazol-9-yl]benzonitrile;9-[4-(3-phenylphenyl)phenyl]-3-[9-(3-tritylphenyl)-9H-fluoren-3-yl]carbazole?
4-[3-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazol-9-yl]benzonitrile;9-[4-(3-phenylphenyl)phenyl]-3-[9-(3-tritylphenyl)-9H-fluoren-3-yl]carbazole has a molecular weight of 1539.94 g/mol, XLogP of 30.08, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazol-9-yl]benzonitrile;9-[4-(3-phenylphenyl)phenyl]-3-[9-(3-tritylphenyl)-9H-fluoren-3-yl]carbazole is sourced from PubChem (CID 157164036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).