7-(5,5-dimethyl-4,6-diphenylcyclopenta[d]pyrimidin-2-yl)-10-(7-phenyl-4a,11c-dihydrobenzo[c]carbazol-10-yl)benzo[c]carbazole

C59H42N4 — CID 145381024

IUPAC7-(5,5-dimethyl-4,6-diphenylcyclopenta[d]pyrimidin-2-yl)-10-(7-phenyl-4a,11c-dihydrobenzo[c]carbazol-10-yl)benzo[c]carbazole
SMILESCC1(C)C(c2ccccc2)=Cc2nc(-n3c4ccc(-c5ccc6c(c5)c5c(n6-c6ccccc6)C=CC6C=CC=CC56)cc4c4c5ccccc5ccc43)nc(-c3ccccc3)c21
InChIInChI=1S/C59H42N4/c1-59(2)48(39-18-6-3-7-19-39)36-49-56(59)57(40-20-8-4-9-21-40)61-58(60-49)63-51-31-29-42(35-47(51)55-45-25-15-13-17-38(45)27-33-53(55)63)41-28-30-50-46(34-41)54-44-24-14-12-16-37(44)26-32-52(54)62(50)43-22-10-5-11-23-43/h3-37,44H,1-2H3
InChIKeyGFGXUFAWZZBJCP-UHFFFAOYSA-N
MW807.01 g/mol
LogP14.69
Rot. Bonds5

About 7-(5,5-dimethyl-4,6-diphenylcyclopenta[d]pyrimidin-2-yl)-10-(7-phenyl-4a,11c-dihydrobenzo[c]carbazol-10-yl)benzo[c]carbazole

7-(5,5-dimethyl-4,6-diphenylcyclopenta[d]pyrimidin-2-yl)-10-(7-phenyl-4a,11c-dihydrobenzo[c]carbazol-10-yl)benzo[c]carbazole (PubChem CID 145381024) has the molecular formula C59H42N4 and a molecular weight of 807.01 g/mol. Its IUPAC name is 7-(5,5-dimethyl-4,6-diphenylcyclopenta[d]pyrimidin-2-yl)-10-(7-phenyl-4a,11c-dihydrobenzo[c]carbazol-10-yl)benzo[c]carbazole.

Molecular Properties

Compound Name7-(5,5-dimethyl-4,6-diphenylcyclopenta[d]pyrimidin-2-yl)-10-(7-phenyl-4a,11c-dihydrobenzo[c]carbazol-10-yl)benzo[c]carbazole
PubChem CID145381024
Molecular FormulaC59H42N4
Molecular Weight807.01 g/mol
Exact Mass806.34
IUPAC Name7-(5,5-dimethyl-4,6-diphenylcyclopenta[d]pyrimidin-2-yl)-10-(7-phenyl-4a,11c-dihydrobenzo[c]carbazol-10-yl)benzo[c]carbazole
SMILESCC1(C)C(c2ccccc2)=Cc2nc(-n3c4ccc(-c5ccc6c(c5)c5c(n6-c6ccccc6)C=CC6C=CC=CC56)cc4c4c5ccccc5ccc43)nc(-c3ccccc3)c21
InChIInChI=1S/C59H42N4/c1-59(2)48(39-18-6-3-7-19-39)36-49-56(59)57(40-20-8-4-9-21-40)61-58(60-49)63-51-31-29-42(35-47(51)55-45-25-15-13-17-38(45)27-33-53(55)63)41-28-30-50-46(34-41)54-44-24-14-12-16-37(44)26-32-52(54)62(50)43-22-10-5-11-23-43/h3-37,44H,1-2H3
InChIKeyGFGXUFAWZZBJCP-UHFFFAOYSA-N
XLogP14.69
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500807.01
LogP ≤ 514.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-(9,9-dimethyl-10-phenylacridin-2-yl)-7-(4-phenyl-6a,10a-dihydrobenzo[h]quinazolin-2-yl)benzo[c]carbazole
CID 134431357
7-phenyl-10-[9-(4-phenylbenzo[h]quinazolin-2-yl)carbazol-3-yl]benzo[c]carbazole
CID 155153254
10-(9,9-dimethylfluoren-2-yl)-7-(1,2,9-triphenylimidazo[4,5-f]quinazolin-7-yl)benzo[c]carbazole
CID 131998849
7-(9,9-dimethyl-1,8-diphenylcyclopenta[f]quinazolin-3-yl)-10-(9,9-dimethyl-10-phenylacridin-2-yl)benzo[c]carbazole
CID 131998839
7-[4-[4-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]quinazolin-2-yl]benzo[c]carbazole
CID 71109055
7-(4-phenylphenyl)-10-[7-(4-phenylquinazolin-2-yl)benzo[c]carbazol-10-yl]benzo[c]carbazole;7-(4-phenylphenyl)-10-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]benzo[c]carbazole
CID 165103211
9-phenyl-5-[9-(1-phenylbenzo[f]quinazolin-3-yl)carbazol-3-yl]-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaene
CID 134301130
19-methyl-12-[3-(3-methylphenyl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,17,19-nonaene
CID 163605881
9-phenyl-6-[7-(4-phenylbenzo[h]quinazolin-2-yl)benzo[c]carbazol-10-yl]carbazole-3-thiol
CID 131998699
7-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-10-phenylbenzo[c]carbazole
CID 118133197
10-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-7-(4-phenylquinazolin-2-yl)benzo[c]carbazole
CID 138475136
10-(9,9-dimethylfluoren-2-yl)-7-(1,2,9-triphenylpyrrolo[2,3-f]quinazolin-7-yl)benzo[c]carbazole
CID 131998610

Frequently Asked Questions

What is the IUPAC name of 7-(5,5-dimethyl-4,6-diphenylcyclopenta[d]pyrimidin-2-yl)-10-(7-phenyl-4a,11c-dihydrobenzo[c]carbazol-10-yl)benzo[c]carbazole?
The IUPAC name of 7-(5,5-dimethyl-4,6-diphenylcyclopenta[d]pyrimidin-2-yl)-10-(7-phenyl-4a,11c-dihydrobenzo[c]carbazol-10-yl)benzo[c]carbazole (CID 145381024) is 7-(5,5-dimethyl-4,6-diphenylcyclopenta[d]pyrimidin-2-yl)-10-(7-phenyl-4a,11c-dihydrobenzo[c]carbazol-10-yl)benzo[c]carbazole.
What is the SMILES notation for 7-(5,5-dimethyl-4,6-diphenylcyclopenta[d]pyrimidin-2-yl)-10-(7-phenyl-4a,11c-dihydrobenzo[c]carbazol-10-yl)benzo[c]carbazole?
The canonical SMILES for 7-(5,5-dimethyl-4,6-diphenylcyclopenta[d]pyrimidin-2-yl)-10-(7-phenyl-4a,11c-dihydrobenzo[c]carbazol-10-yl)benzo[c]carbazole is CC1(C)C(c2ccccc2)=Cc2nc(-n3c4ccc(-c5ccc6c(c5)c5c(n6-c6ccccc6)C=CC6C=CC=CC56)cc4c4c5ccccc5ccc43)nc(-c3ccccc3)c21.
What is the InChIKey of 7-(5,5-dimethyl-4,6-diphenylcyclopenta[d]pyrimidin-2-yl)-10-(7-phenyl-4a,11c-dihydrobenzo[c]carbazol-10-yl)benzo[c]carbazole?
The InChIKey is GFGXUFAWZZBJCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H42N4/c1-59(2)48(39-18-6-3-7-19-39)36-49-56(59)57(40-20-8-4-9-21-40)61-58(60-49)63-51-31-29-42(35-47(51)55-45-25-15-13-17-38(45)27-33-53(55)63)41-28-30-50-46(34-41)54-44-24-14-12-16-37(44)26-32-52(54)62(50)43-22-10-5-11-23-43/h3-37,44H,1-2H3.
What are the key properties of 7-(5,5-dimethyl-4,6-diphenylcyclopenta[d]pyrimidin-2-yl)-10-(7-phenyl-4a,11c-dihydrobenzo[c]carbazol-10-yl)benzo[c]carbazole?
7-(5,5-dimethyl-4,6-diphenylcyclopenta[d]pyrimidin-2-yl)-10-(7-phenyl-4a,11c-dihydrobenzo[c]carbazol-10-yl)benzo[c]carbazole has a molecular weight of 807.01 g/mol, XLogP of 14.69, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5,5-dimethyl-4,6-diphenylcyclopenta[d]pyrimidin-2-yl)-10-(7-phenyl-4a,11c-dihydrobenzo[c]carbazol-10-yl)benzo[c]carbazole is sourced from PubChem (CID 145381024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).