5-[3-carbazol-9-yl-5-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole

C59H40N4 — CID 126592234

IUPAC5-[3-carbazol-9-yl-5-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4cc(-c5nc(-c6ccc(-c7ccccc7)cc6)c6ccccc6n5)cc(-n5c6ccccc6c6ccccc65)c4)c3cc21
InChIInChI=1S/C59H40N4/c1-59(2)50-23-11-6-18-43(50)48-35-49-46-21-10-15-27-55(46)63(56(49)36-51(48)59)42-33-40(32-41(34-42)62-53-25-13-8-19-44(53)45-20-9-14-26-54(45)62)58-60-52-24-12-7-22-47(52)57(61-58)39-30-28-38(29-31-39)37-16-4-3-5-17-37/h3-36H,1-2H3
InChIKeyNBPQUQRZTISGGB-UHFFFAOYSA-N
MW805.00 g/mol
LogP15.13
Rot. Bonds5

About 5-[3-carbazol-9-yl-5-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole

5-[3-carbazol-9-yl-5-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole (PubChem CID 126592234) has the molecular formula C59H40N4 and a molecular weight of 805.00 g/mol. Its IUPAC name is 5-[3-carbazol-9-yl-5-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole.

Molecular Properties

Compound Name5-[3-carbazol-9-yl-5-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole
PubChem CID126592234
Molecular FormulaC59H40N4
Molecular Weight805.00 g/mol
Exact Mass804.33
IUPAC Name5-[3-carbazol-9-yl-5-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4cc(-c5nc(-c6ccc(-c7ccccc7)cc6)c6ccccc6n5)cc(-n5c6ccccc6c6ccccc65)c4)c3cc21
InChIInChI=1S/C59H40N4/c1-59(2)50-23-11-6-18-43(50)48-35-49-46-21-10-15-27-55(46)63(56(49)36-51(48)59)42-33-40(32-41(34-42)62-53-25-13-8-19-44(53)45-20-9-14-26-54(45)62)58-60-52-24-12-7-22-47(52)57(61-58)39-30-28-38(29-31-39)37-16-4-3-5-17-37/h3-36H,1-2H3
InChIKeyNBPQUQRZTISGGB-UHFFFAOYSA-N
XLogP15.13
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500805.00
LogP ≤ 515.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7,7-dimethyl-5-[3-phenyl-5-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]indeno[2,1-b]carbazole
CID 145257288
5-[3-carbazol-9-yl-5-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 146535003
14-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]-10,10-dimethyl-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 129122679
7,7-dimethyl-5-[3-(5-methyl-4,6-diphenylpyrimidin-2-yl)phenyl]indeno[2,1-b]carbazole
CID 163991530
5-(3,5-diphenylphenyl)-7,7-dimethylindeno[2,1-b]carbazole
CID 66797662
7,7-dimethyl-5-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indeno[2,1-b]carbazole;ethane
CID 142377951
5-[3-[4-carbazol-9-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 169014140
9-[3-carbazol-9-yl-5-[4-(23,23-dimethyl-5-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 121444153
7,7-dimethyl-2-[3-(9-phenylcarbazol-3-yl)phenyl]-5-(4-phenylquinazolin-2-yl)indeno[2,1-b]carbazole
CID 118517262
5-(3,5-diphenylphenyl)-2-[9-(3,5-diphenylphenyl)carbazol-3-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 90337279
5-(3,5-diphenylphenyl)-7,7-dimethylindeno[2,1-b]carbazole;iodomethane
CID 158767390
24,24-dimethyl-20-(4-phenylphenyl)-20-azaheptacyclo[19.11.0.02,7.08,13.014,19.023,31.025,30]dotriaconta-1(32),2,4,6,8,10,12,14,16,18,21,23(31),25,27,29-pentadecaene
CID 142363377

Frequently Asked Questions

What is the IUPAC name of 5-[3-carbazol-9-yl-5-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole?
The IUPAC name of 5-[3-carbazol-9-yl-5-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole (CID 126592234) is 5-[3-carbazol-9-yl-5-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole.
What is the SMILES notation for 5-[3-carbazol-9-yl-5-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole?
The canonical SMILES for 5-[3-carbazol-9-yl-5-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole is CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4cc(-c5nc(-c6ccc(-c7ccccc7)cc6)c6ccccc6n5)cc(-n5c6ccccc6c6ccccc65)c4)c3cc21.
What is the InChIKey of 5-[3-carbazol-9-yl-5-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole?
The InChIKey is NBPQUQRZTISGGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H40N4/c1-59(2)50-23-11-6-18-43(50)48-35-49-46-21-10-15-27-55(46)63(56(49)36-51(48)59)42-33-40(32-41(34-42)62-53-25-13-8-19-44(53)45-20-9-14-26-54(45)62)58-60-52-24-12-7-22-47(52)57(61-58)39-30-28-38(29-31-39)37-16-4-3-5-17-37/h3-36H,1-2H3.
What are the key properties of 5-[3-carbazol-9-yl-5-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole?
5-[3-carbazol-9-yl-5-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole has a molecular weight of 805.00 g/mol, XLogP of 15.13, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-carbazol-9-yl-5-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole is sourced from PubChem (CID 126592234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).