9-[3-(3,6-dicyano-9H-fluoren-9-yl)-5-(10-phenylspiro[acridine-9,11'-indeno[1,2-b]carbazole]-5'-yl)phenyl]-9H-fluorene-3,6-dicarbonitrile

C73H40N6 — CID 131982209

IUPAC9-[3-(3,6-dicyano-9H-fluoren-9-yl)-5-(10-phenylspiro[acridine-9,11'-indeno[1,2-b]carbazole]-5'-yl)phenyl]-9H-fluorene-3,6-dicarbonitrile
SMILESN#Cc1ccc2c(c1)-c1cc(C#N)ccc1C2c1cc(C2c3ccc(C#N)cc3-c3cc(C#N)ccc32)cc(-n2c3ccccc3c3cc4c(cc32)-c2ccccc2C42c3ccccc3N(c3ccccc3)c3ccccc32)c1
InChIInChI=1S/C73H40N6/c74-39-43-22-26-53-57(30-43)58-31-44(40-75)23-27-54(58)71(53)47-34-48(72-55-28-24-45(41-76)32-59(55)60-33-46(42-77)25-29-56(60)72)36-50(35-47)79-67-19-9-5-15-52(67)62-37-66-61(38-70(62)79)51-14-4-6-16-63(51)73(66)64-17-7-10-20-68(64)78(49-12-2-1-3-13-49)69-21-11-8-18-65(69)73/h1-38,71-72H
InChIKeyWLUMPUUQBXXARS-UHFFFAOYSA-N
MW1001.16 g/mol
LogP16.74
Rot. Bonds4

About 9-[3-(3,6-dicyano-9H-fluoren-9-yl)-5-(10-phenylspiro[acridine-9,11'-indeno[1,2-b]carbazole]-5'-yl)phenyl]-9H-fluorene-3,6-dicarbonitrile

9-[3-(3,6-dicyano-9H-fluoren-9-yl)-5-(10-phenylspiro[acridine-9,11'-indeno[1,2-b]carbazole]-5'-yl)phenyl]-9H-fluorene-3,6-dicarbonitrile (PubChem CID 131982209) has the molecular formula C73H40N6 and a molecular weight of 1001.16 g/mol. Its IUPAC name is 9-[3-(3,6-dicyano-9H-fluoren-9-yl)-5-(10-phenylspiro[acridine-9,11'-indeno[1,2-b]carbazole]-5'-yl)phenyl]-9H-fluorene-3,6-dicarbonitrile.

Molecular Properties

Compound Name9-[3-(3,6-dicyano-9H-fluoren-9-yl)-5-(10-phenylspiro[acridine-9,11'-indeno[1,2-b]carbazole]-5'-yl)phenyl]-9H-fluorene-3,6-dicarbonitrile
PubChem CID131982209
Molecular FormulaC73H40N6
Molecular Weight1001.16 g/mol
Exact Mass1000.33
IUPAC Name9-[3-(3,6-dicyano-9H-fluoren-9-yl)-5-(10-phenylspiro[acridine-9,11'-indeno[1,2-b]carbazole]-5'-yl)phenyl]-9H-fluorene-3,6-dicarbonitrile
SMILESN#Cc1ccc2c(c1)-c1cc(C#N)ccc1C2c1cc(C2c3ccc(C#N)cc3-c3cc(C#N)ccc32)cc(-n2c3ccccc3c3cc4c(cc32)-c2ccccc2C42c3ccccc3N(c3ccccc3)c3ccccc32)c1
InChIInChI=1S/C73H40N6/c74-39-43-22-26-53-57(30-43)58-31-44(40-75)23-27-54(58)71(53)47-34-48(72-55-28-24-45(41-76)32-59(55)60-33-46(42-77)25-29-56(60)72)36-50(35-47)79-67-19-9-5-15-52(67)62-37-66-61(38-70(62)79)51-14-4-6-16-63(51)73(66)64-17-7-10-20-68(64)78(49-12-2-1-3-13-49)69-21-11-8-18-65(69)73/h1-38,71-72H
InChIKeyWLUMPUUQBXXARS-UHFFFAOYSA-N
XLogP16.74
TPSA103.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms79
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001001.16
LogP ≤ 516.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 9-[3-(3,6-dicyano-9H-fluoren-9-yl)-5-(10-phenylspiro[acridine-9,11'-indeno[1,2-b]carbazole]-5'-yl)phenyl]-9H-fluorene-3,6-dicarbonitrile with MolForge

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Related Compounds

9,9-dimethyl-7-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,11'-indeno[1,2-b]carbazole]-5'-ylfluorene-2-carbonitrile
CID 131973890
4-carbazol-9-yl-3-[5-cyano-2-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]benzonitrile
CID 129300013
3-[2-[3-carbazol-9-yl-5-(9,9-dimethylacridin-10-yl)phenyl]phenyl]benzonitrile
CID 126496772
3,6-di(carbazol-9-yl)-10-phenylspiro[acridine-9,9'-fluorene]
CID 122367921
10-phenyl-3'-[9-(4-phenylphenyl)carbazol-3-yl]spiro[acridine-9,9'-fluorene]
CID 163947918
9-[40-(2,6-diphenylphenyl)-9-(3,5-diphenylphenyl)-34,34-dimethyl-28-phenyl-9,28,40-triaza-2-boraundecacyclo[33.3.1.14,38.110,14.129,33.02,11.03,8.013,21.015,20.021,30.022,27]dotetraconta-1(38),3,5,7,10(42),11,13,15,17,19,22,24,26,29,31,33(41),35(39),36-octadecaen-6-yl]carbazole-3-carbonitrile
CID 174122410
3-carbazol-9-yl-5-[3-cyano-5-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]benzonitrile
CID 168783318
3-(9H-fluoren-9-yl)-9-spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene]-19'-ylcarbazole
CID 122413347
2,5-bis(11,11-diphenylindeno[1,2-b]carbazol-5-yl)benzene-1,4-dicarbonitrile
CID 166572309
7'-isocyano-10-(3-pyrido[4,3-b]indol-5-ylphenyl)spiro[acridine-9,9'-fluorene]-2'-carbonitrile
CID 140761302
23,37-bis(9-phenylcarbazol-2-yl)spiro[23,37-diazanonacyclo[26.11.0.02,7.08,13.014,26.016,24.017,22.030,38.031,36]nonatriaconta-1(28),2,4,6,8,10,12,14(26),15,17,19,21,24,29,31,33,35,38-octadecaene-27,9'-fluorene]
CID 134555366
9-[7'-(9H-fluoren-9-yl)-9,9'-spirobi[fluorene]-2'-yl]carbazole
CID 167069581

Frequently Asked Questions

What is the IUPAC name of 9-[3-(3,6-dicyano-9H-fluoren-9-yl)-5-(10-phenylspiro[acridine-9,11'-indeno[1,2-b]carbazole]-5'-yl)phenyl]-9H-fluorene-3,6-dicarbonitrile?
The IUPAC name of 9-[3-(3,6-dicyano-9H-fluoren-9-yl)-5-(10-phenylspiro[acridine-9,11'-indeno[1,2-b]carbazole]-5'-yl)phenyl]-9H-fluorene-3,6-dicarbonitrile (CID 131982209) is 9-[3-(3,6-dicyano-9H-fluoren-9-yl)-5-(10-phenylspiro[acridine-9,11'-indeno[1,2-b]carbazole]-5'-yl)phenyl]-9H-fluorene-3,6-dicarbonitrile.
What is the SMILES notation for 9-[3-(3,6-dicyano-9H-fluoren-9-yl)-5-(10-phenylspiro[acridine-9,11'-indeno[1,2-b]carbazole]-5'-yl)phenyl]-9H-fluorene-3,6-dicarbonitrile?
The canonical SMILES for 9-[3-(3,6-dicyano-9H-fluoren-9-yl)-5-(10-phenylspiro[acridine-9,11'-indeno[1,2-b]carbazole]-5'-yl)phenyl]-9H-fluorene-3,6-dicarbonitrile is N#Cc1ccc2c(c1)-c1cc(C#N)ccc1C2c1cc(C2c3ccc(C#N)cc3-c3cc(C#N)ccc32)cc(-n2c3ccccc3c3cc4c(cc32)-c2ccccc2C42c3ccccc3N(c3ccccc3)c3ccccc32)c1.
What is the InChIKey of 9-[3-(3,6-dicyano-9H-fluoren-9-yl)-5-(10-phenylspiro[acridine-9,11'-indeno[1,2-b]carbazole]-5'-yl)phenyl]-9H-fluorene-3,6-dicarbonitrile?
The InChIKey is WLUMPUUQBXXARS-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H40N6/c74-39-43-22-26-53-57(30-43)58-31-44(40-75)23-27-54(58)71(53)47-34-48(72-55-28-24-45(41-76)32-59(55)60-33-46(42-77)25-29-56(60)72)36-50(35-47)79-67-19-9-5-15-52(67)62-37-66-61(38-70(62)79)51-14-4-6-16-63(51)73(66)64-17-7-10-20-68(64)78(49-12-2-1-3-13-49)69-21-11-8-18-65(69)73/h1-38,71-72H.
What are the key properties of 9-[3-(3,6-dicyano-9H-fluoren-9-yl)-5-(10-phenylspiro[acridine-9,11'-indeno[1,2-b]carbazole]-5'-yl)phenyl]-9H-fluorene-3,6-dicarbonitrile?
9-[3-(3,6-dicyano-9H-fluoren-9-yl)-5-(10-phenylspiro[acridine-9,11'-indeno[1,2-b]carbazole]-5'-yl)phenyl]-9H-fluorene-3,6-dicarbonitrile has a molecular weight of 1001.16 g/mol, XLogP of 16.74, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-(3,6-dicyano-9H-fluoren-9-yl)-5-(10-phenylspiro[acridine-9,11'-indeno[1,2-b]carbazole]-5'-yl)phenyl]-9H-fluorene-3,6-dicarbonitrile is sourced from PubChem (CID 131982209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).