7,7-dimethyl-12-phenyl-3-[5-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]-9H-carbazol-3-yl]indeno[1,2-a]carbazole

C65H43N5 — CID 163790294

IUPAC7,7-dimethyl-12-phenyl-3-[5-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]-9H-carbazol-3-yl]indeno[1,2-a]carbazole
SMILESCC1(C)c2ccccc2-c2c1ccc1c3cc(-c4ccc5[nH]c6cccc(-c7ccc8c(c7)c7ccccc7n8-c7nc(-c8ccccc8)c8ccccc8n7)c6c5c4)ccc3n(-c3ccccc3)c21
InChIInChI=1S/C65H43N5/c1-65(2)52-24-12-9-21-47(52)61-53(65)32-31-46-50-36-41(29-34-58(50)69(63(46)61)43-18-7-4-8-19-43)40-28-33-55-51(37-40)60-44(23-15-26-56(60)66-55)42-30-35-59-49(38-42)45-20-11-14-27-57(45)70(59)64-67-54-25-13-10-22-48(54)62(68-64)39-16-5-3-6-17-39/h3-38,66H,1-2H3
InChIKeyMWCQMIXCJOXTQZ-UHFFFAOYSA-N
MW894.09 g/mol
LogP16.77
Rot. Bonds5

About 7,7-dimethyl-12-phenyl-3-[5-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]-9H-carbazol-3-yl]indeno[1,2-a]carbazole

7,7-dimethyl-12-phenyl-3-[5-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]-9H-carbazol-3-yl]indeno[1,2-a]carbazole (PubChem CID 163790294) has the molecular formula C65H43N5 and a molecular weight of 894.09 g/mol. Its IUPAC name is 7,7-dimethyl-12-phenyl-3-[5-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]-9H-carbazol-3-yl]indeno[1,2-a]carbazole.

Molecular Properties

Compound Name7,7-dimethyl-12-phenyl-3-[5-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]-9H-carbazol-3-yl]indeno[1,2-a]carbazole
PubChem CID163790294
Molecular FormulaC65H43N5
Molecular Weight894.09 g/mol
Exact Mass893.35
IUPAC Name7,7-dimethyl-12-phenyl-3-[5-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]-9H-carbazol-3-yl]indeno[1,2-a]carbazole
SMILESCC1(C)c2ccccc2-c2c1ccc1c3cc(-c4ccc5[nH]c6cccc(-c7ccc8c(c7)c7ccccc7n8-c7nc(-c8ccccc8)c8ccccc8n7)c6c5c4)ccc3n(-c3ccccc3)c21
InChIInChI=1S/C65H43N5/c1-65(2)52-24-12-9-21-47(52)61-53(65)32-31-46-50-36-41(29-34-58(50)69(63(46)61)43-18-7-4-8-19-43)40-28-33-55-51(37-40)60-44(23-15-26-56(60)66-55)42-30-35-59-49(38-42)45-20-11-14-27-57(45)70(59)64-67-54-25-13-10-22-48(54)62(68-64)39-16-5-3-6-17-39/h3-38,66H,1-2H3
InChIKeyMWCQMIXCJOXTQZ-UHFFFAOYSA-N
XLogP16.77
TPSA51.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500894.09
LogP ≤ 516.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7,7-dimethyl-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indeno[1,2-a]carbazole;7,7-dimethyl-12-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indeno[1,2-a]carbazole;7,7-dimethyl-12-[4-(4-phenylphenyl)quinazolin-2-yl]indeno[1,2-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethyl-3-phenylindeno[1,2-a]carbazole
CID 165042893
1-[3-(9,9-dimethylfluoren-4-yl)phenyl]-6-phenyl-9-(4-phenylquinazolin-2-yl)carbazole
CID 148655486
12-[3-[2,4-bis[4-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)phenyl]quinazolin-6-yl]phenyl]-7,7-dimethylindeno[1,2-a]carbazole
CID 126630713
3-(9,9-dimethylfluoren-3-yl)-9-[4-(4-phenylphenyl)quinazolin-2-yl]carbazole
CID 142356903
22,22-dimethyl-14-phenyl-5-(9-phenylcarbazol-3-yl)-9-(4-phenylquinazolin-2-yl)-9,14-diazahexacyclo[11.10.0.02,10.03,8.015,23.016,21]tricosa-1(13),2(10),3(8),4,6,11,15(23),16,18,20-decaene
CID 90270374
7,7-dimethyl-2-[3-(9-phenylcarbazol-3-yl)phenyl]-5-(4-phenylquinazolin-2-yl)indeno[2,1-b]carbazole
CID 118517262
15,15-dimethyl-7-(9-phenylcarbazol-3-yl)-11-(4-phenylquinazolin-2-yl)-11-azahexacyclo[14.7.1.02,14.04,12.05,10.020,24]tetracosa-1(23),2(14),3,5(10),6,8,12,16,18,20(24),21-undecaene
CID 135274073
12-[3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[1,2-a]carbazole
CID 162362960
12-[4-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[1,2-a]carbazole
CID 169014344
7,7-dimethyl-2-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzo[e]perimidine
CID 147523957
12-(4-dibenzothiophen-2-ylquinazolin-2-yl)-7,7-dimethylindeno[1,2-a]carbazole
CID 71291239
7,7-dimethyl-3-(9-naphthalen-1-ylcarbazol-3-yl)-12-phenylindeno[1,2-a]carbazole
CID 145080031

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-12-phenyl-3-[5-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]-9H-carbazol-3-yl]indeno[1,2-a]carbazole?
The IUPAC name of 7,7-dimethyl-12-phenyl-3-[5-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]-9H-carbazol-3-yl]indeno[1,2-a]carbazole (CID 163790294) is 7,7-dimethyl-12-phenyl-3-[5-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]-9H-carbazol-3-yl]indeno[1,2-a]carbazole.
What is the SMILES notation for 7,7-dimethyl-12-phenyl-3-[5-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]-9H-carbazol-3-yl]indeno[1,2-a]carbazole?
The canonical SMILES for 7,7-dimethyl-12-phenyl-3-[5-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]-9H-carbazol-3-yl]indeno[1,2-a]carbazole is CC1(C)c2ccccc2-c2c1ccc1c3cc(-c4ccc5[nH]c6cccc(-c7ccc8c(c7)c7ccccc7n8-c7nc(-c8ccccc8)c8ccccc8n7)c6c5c4)ccc3n(-c3ccccc3)c21.
What is the InChIKey of 7,7-dimethyl-12-phenyl-3-[5-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]-9H-carbazol-3-yl]indeno[1,2-a]carbazole?
The InChIKey is MWCQMIXCJOXTQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H43N5/c1-65(2)52-24-12-9-21-47(52)61-53(65)32-31-46-50-36-41(29-34-58(50)69(63(46)61)43-18-7-4-8-19-43)40-28-33-55-51(37-40)60-44(23-15-26-56(60)66-55)42-30-35-59-49(38-42)45-20-11-14-27-57(45)70(59)64-67-54-25-13-10-22-48(54)62(68-64)39-16-5-3-6-17-39/h3-38,66H,1-2H3.
What are the key properties of 7,7-dimethyl-12-phenyl-3-[5-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]-9H-carbazol-3-yl]indeno[1,2-a]carbazole?
7,7-dimethyl-12-phenyl-3-[5-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]-9H-carbazol-3-yl]indeno[1,2-a]carbazole has a molecular weight of 894.09 g/mol, XLogP of 16.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-12-phenyl-3-[5-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]-9H-carbazol-3-yl]indeno[1,2-a]carbazole is sourced from PubChem (CID 163790294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).