1,1,2,2,3,3-hexamethyl-4,7-bis(11-phenylindolo[2,3-a]carbazol-12-yl)indene-5,6-dicarbonitrile

C65H48N6 — CID 122609988

IUPAC1,1,2,2,3,3-hexamethyl-4,7-bis(11-phenylindolo[2,3-a]carbazol-12-yl)indene-5,6-dicarbonitrile
SMILESCC1(C)c2c(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)c(C#N)c(C#N)c(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)c2C(C)(C)C1(C)C
InChIInChI=1S/C65H48N6/c1-63(2)55-56(64(3,4)65(63,5)6)58(71-54-32-20-16-28-44(54)48-36-34-46-42-26-14-18-30-52(42)69(60(46)62(48)71)40-23-11-8-12-24-40)50(38-67)49(37-66)57(55)70-53-31-19-15-27-43(53)47-35-33-45-41-25-13-17-29-51(41)68(59(45)61(47)70)39-21-9-7-10-22-39/h7-36H,1-6H3
InChIKeyQJGVPASMPXNHGP-UHFFFAOYSA-N
MW913.14 g/mol
LogP16.41
Rot. Bonds4

About 1,1,2,2,3,3-hexamethyl-4,7-bis(11-phenylindolo[2,3-a]carbazol-12-yl)indene-5,6-dicarbonitrile

1,1,2,2,3,3-hexamethyl-4,7-bis(11-phenylindolo[2,3-a]carbazol-12-yl)indene-5,6-dicarbonitrile (PubChem CID 122609988) has the molecular formula C65H48N6 and a molecular weight of 913.14 g/mol. Its IUPAC name is 1,1,2,2,3,3-hexamethyl-4,7-bis(11-phenylindolo[2,3-a]carbazol-12-yl)indene-5,6-dicarbonitrile.

Molecular Properties

Compound Name1,1,2,2,3,3-hexamethyl-4,7-bis(11-phenylindolo[2,3-a]carbazol-12-yl)indene-5,6-dicarbonitrile
PubChem CID122609988
Molecular FormulaC65H48N6
Molecular Weight913.14 g/mol
Exact Mass912.39
IUPAC Name1,1,2,2,3,3-hexamethyl-4,7-bis(11-phenylindolo[2,3-a]carbazol-12-yl)indene-5,6-dicarbonitrile
SMILESCC1(C)c2c(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)c(C#N)c(C#N)c(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)c2C(C)(C)C1(C)C
InChIInChI=1S/C65H48N6/c1-63(2)55-56(64(3,4)65(63,5)6)58(71-54-32-20-16-28-44(54)48-36-34-46-42-26-14-18-30-52(42)69(60(46)62(48)71)40-23-11-8-12-24-40)50(38-67)49(37-66)57(55)70-53-31-19-15-27-43(53)47-35-33-45-41-25-13-17-29-51(41)68(59(45)61(47)70)39-21-9-7-10-22-39/h7-36H,1-6H3
InChIKeyQJGVPASMPXNHGP-UHFFFAOYSA-N
XLogP16.41
TPSA67.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500913.14
LogP ≤ 516.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5,5,8,8-tetramethyl-3,4-bis(11-phenylindolo[2,3-a]carbazol-12-yl)-6,7-dihydronaphthalene-1,2-dicarbonitrile
CID 122609963
1,1,3,3-tetramethyl-2-phenyl-7-(5-phenylindolo[3,2-b]carbazol-11-yl)isoindole-4,5,6-tricarbonitrile
CID 122609781
4,7-bis([1]benzofuro[2,3-a]carbazol-12-yl)-6-isocyano-1,1,2,2,3,3-hexamethylindene-5-carbonitrile
CID 140745886
2,4,5-tri(carbazol-9-yl)-3-isocyano-6-(11-phenylindolo[2,3-a]carbazol-12-yl)benzonitrile
CID 162486195
2,4,5-tri(carbazol-9-yl)-6-(12-phenylindolo[3,2-c]carbazol-5-yl)benzene-1,3-dicarbonitrile
CID 166856107
2,4,5-tri(carbazol-9-yl)-6-(5-phenylindolo[3,2-c]carbazol-12-yl)benzene-1,3-dicarbonitrile
CID 166855757
4-[12-(4-cyanophenyl)indolo[2,3-a]carbazol-11-yl]benzonitrile
CID 145345159
2,3,4-tri(carbazol-9-yl)-9-phenylcarbazole-1-carbonitrile
CID 155131709
6-(11-phenylindolo[2,3-a]carbazol-12-yl)pyridine-2-carbonitrile
CID 144595820
2,5-bis(11-phenylindolo[2,3-a]carbazol-12-yl)-3,6-bis[3-(trifluoromethyl)carbazol-9-yl]pyridine-4-carbonitrile
CID 137368747
2-(3,6-difluorocarbazol-9-yl)-4-(11-phenylindolo[2,3-a]carbazol-12-yl)benzene-1,3-dicarbonitrile
CID 118927757
4,6-diphenyl-2-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]pyrimidine-5-carbonitrile
CID 163478634

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3-hexamethyl-4,7-bis(11-phenylindolo[2,3-a]carbazol-12-yl)indene-5,6-dicarbonitrile?
The IUPAC name of 1,1,2,2,3,3-hexamethyl-4,7-bis(11-phenylindolo[2,3-a]carbazol-12-yl)indene-5,6-dicarbonitrile (CID 122609988) is 1,1,2,2,3,3-hexamethyl-4,7-bis(11-phenylindolo[2,3-a]carbazol-12-yl)indene-5,6-dicarbonitrile.
What is the SMILES notation for 1,1,2,2,3,3-hexamethyl-4,7-bis(11-phenylindolo[2,3-a]carbazol-12-yl)indene-5,6-dicarbonitrile?
The canonical SMILES for 1,1,2,2,3,3-hexamethyl-4,7-bis(11-phenylindolo[2,3-a]carbazol-12-yl)indene-5,6-dicarbonitrile is CC1(C)c2c(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)c(C#N)c(C#N)c(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)c2C(C)(C)C1(C)C.
What is the InChIKey of 1,1,2,2,3,3-hexamethyl-4,7-bis(11-phenylindolo[2,3-a]carbazol-12-yl)indene-5,6-dicarbonitrile?
The InChIKey is QJGVPASMPXNHGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H48N6/c1-63(2)55-56(64(3,4)65(63,5)6)58(71-54-32-20-16-28-44(54)48-36-34-46-42-26-14-18-30-52(42)69(60(46)62(48)71)40-23-11-8-12-24-40)50(38-67)49(37-66)57(55)70-53-31-19-15-27-43(53)47-35-33-45-41-25-13-17-29-51(41)68(59(45)61(47)70)39-21-9-7-10-22-39/h7-36H,1-6H3.
What are the key properties of 1,1,2,2,3,3-hexamethyl-4,7-bis(11-phenylindolo[2,3-a]carbazol-12-yl)indene-5,6-dicarbonitrile?
1,1,2,2,3,3-hexamethyl-4,7-bis(11-phenylindolo[2,3-a]carbazol-12-yl)indene-5,6-dicarbonitrile has a molecular weight of 913.14 g/mol, XLogP of 16.41, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3-hexamethyl-4,7-bis(11-phenylindolo[2,3-a]carbazol-12-yl)indene-5,6-dicarbonitrile is sourced from PubChem (CID 122609988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).