11-(5-cyclohexa-1,5-dien-1-yl-11,11-dimethyl-8H-cyclohepta[b]quinolin-3-yl)-7-[3-(6-cyclohexa-1,5-dien-1-yl-2-phenylpyrimidin-4-yl)cyclohexa-1,5-dien-1-yl]benzo[c]carbazole

C60H50N4 — CID 142324495

IUPAC11-(5-cyclohexa-1,5-dien-1-yl-11,11-dimethyl-8H-cyclohepta[b]quinolin-3-yl)-7-[3-(6-cyclohexa-1,5-dien-1-yl-2-phenylpyrimidin-4-yl)cyclohexa-1,5-dien-1-yl]benzo[c]carbazole
SMILESCC1(C)C2=C(C=CCC=C2)N(C2=CCCC=C2)c2cc(-c3cccc4c3c3c5ccccc5ccc3n4C3=CC(c4cc(C5=CCCC=C5)nc(-c5ccccc5)n4)CC=C3)ccc21
InChIInChI=1S/C60H50N4/c1-60(2)49-30-13-6-14-31-53(49)63(45-25-11-5-12-26-45)56-38-43(33-35-50(56)60)48-29-18-32-54-58(48)57-47-28-16-15-19-40(47)34-36-55(57)64(54)46-27-17-24-44(37-46)52-39-51(41-20-7-3-8-21-41)61-59(62-52)42-22-9-4-10-23-42/h4,7,9-11,13-23,25-39,44H,3,5-6,8,12,24H2,1-2H3
InChIKeyVRCXKEXJHPCMCV-UHFFFAOYSA-N
MW827.09 g/mol
LogP15.49
Rot. Bonds6

About 11-(5-cyclohexa-1,5-dien-1-yl-11,11-dimethyl-8H-cyclohepta[b]quinolin-3-yl)-7-[3-(6-cyclohexa-1,5-dien-1-yl-2-phenylpyrimidin-4-yl)cyclohexa-1,5-dien-1-yl]benzo[c]carbazole

11-(5-cyclohexa-1,5-dien-1-yl-11,11-dimethyl-8H-cyclohepta[b]quinolin-3-yl)-7-[3-(6-cyclohexa-1,5-dien-1-yl-2-phenylpyrimidin-4-yl)cyclohexa-1,5-dien-1-yl]benzo[c]carbazole (PubChem CID 142324495) has the molecular formula C60H50N4 and a molecular weight of 827.09 g/mol. Its IUPAC name is 11-(5-cyclohexa-1,5-dien-1-yl-11,11-dimethyl-8H-cyclohepta[b]quinolin-3-yl)-7-[3-(6-cyclohexa-1,5-dien-1-yl-2-phenylpyrimidin-4-yl)cyclohexa-1,5-dien-1-yl]benzo[c]carbazole.

Molecular Properties

Compound Name11-(5-cyclohexa-1,5-dien-1-yl-11,11-dimethyl-8H-cyclohepta[b]quinolin-3-yl)-7-[3-(6-cyclohexa-1,5-dien-1-yl-2-phenylpyrimidin-4-yl)cyclohexa-1,5-dien-1-yl]benzo[c]carbazole
PubChem CID142324495
Molecular FormulaC60H50N4
Molecular Weight827.09 g/mol
Exact Mass826.40
IUPAC Name11-(5-cyclohexa-1,5-dien-1-yl-11,11-dimethyl-8H-cyclohepta[b]quinolin-3-yl)-7-[3-(6-cyclohexa-1,5-dien-1-yl-2-phenylpyrimidin-4-yl)cyclohexa-1,5-dien-1-yl]benzo[c]carbazole
SMILESCC1(C)C2=C(C=CCC=C2)N(C2=CCCC=C2)c2cc(-c3cccc4c3c3c5ccccc5ccc3n4C3=CC(c4cc(C5=CCCC=C5)nc(-c5ccccc5)n4)CC=C3)ccc21
InChIInChI=1S/C60H50N4/c1-60(2)49-30-13-6-14-31-53(49)63(45-25-11-5-12-26-45)56-38-43(33-35-50(56)60)48-29-18-32-54-58(48)57-47-28-16-15-19-40(47)34-36-55(57)64(54)46-27-17-24-44(37-46)52-39-51(41-20-7-3-8-21-41)61-59(62-52)42-22-9-4-10-23-42/h4,7,9-11,13-23,25-39,44H,3,5-6,8,12,24H2,1-2H3
InChIKeyVRCXKEXJHPCMCV-UHFFFAOYSA-N
XLogP15.49
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500827.09
LogP ≤ 515.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 11-(5-cyclohexa-1,5-dien-1-yl-11,11-dimethyl-8H-cyclohepta[b]quinolin-3-yl)-7-[3-(6-cyclohexa-1,5-dien-1-yl-2-phenylpyrimidin-4-yl)cyclohexa-1,5-dien-1-yl]benzo[c]carbazole with MolForge

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Related Compounds

8-(10-cyclohexa-1,5-dien-1-yl-9,9-dimethylacridin-3-yl)-7-(2,6-diphenylpyrimidin-4-yl)benzo[c]carbazole
CID 134431433
7-[3-[4-(4-cyclohexa-1,5-dien-1-ylphenyl)quinazolin-2-yl]phenyl]-10-(9,9-dimethyl-10-phenylacridin-3-yl)benzo[c]carbazole
CID 134431911
11-(9,9-dimethyl-10-phenylacridin-3-yl)-7-(4,6-diphenylpyrimidin-2-yl)benzo[c]carbazole
CID 134431640
13-cyclohexa-1,5-dien-1-yl-2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-8,8-dimethyl-5-phenylindolo[2,3-c]acridine
CID 155356618
9-[3-[8-[4-(6-cyclohexa-1,5-dien-1-yl-2-phenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]phenyl]carbazole
CID 137381788
9-cyclohexa-1,5-dien-1-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 144955832
9-cyclohexa-1,5-dien-1-yl-5-[9-[2-[4-(9,9-dimethyl-7,8-dihydrofluoren-4-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazol-4-yl]-2-phenylcarbazole
CID 174271499
11-(9,9-dimethyl-10-phenylacridin-2-yl)-7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole
CID 134431604
9-[4-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-14-[4-(2,6-diphenyl-4-pyridinyl)naphthalen-1-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 89307189
2-cyclohexa-1,5-dien-1-yl-6-(9,9-dimethyl-6'-naphthalen-1-ylspiro[anthracene-10,9'-fluorene]-4'-yl)-4-phenylpyridine
CID 155475729
9-[4-(6-cyclohexa-1,5-dien-1-yl-2-phenylpyrimidin-4-yl)-2,6-diphenylphenyl]-3,6-diphenylcarbazole
CID 177276905
8-[3-(9-cyclohexa-1,5-dien-1-ylcarbazol-4-yl)carbazol-9-yl]-2,4-diphenyl-[1]benzofuro[3,2-d]pyrimidine
CID 167232919

Frequently Asked Questions

What is the IUPAC name of 11-(5-cyclohexa-1,5-dien-1-yl-11,11-dimethyl-8H-cyclohepta[b]quinolin-3-yl)-7-[3-(6-cyclohexa-1,5-dien-1-yl-2-phenylpyrimidin-4-yl)cyclohexa-1,5-dien-1-yl]benzo[c]carbazole?
The IUPAC name of 11-(5-cyclohexa-1,5-dien-1-yl-11,11-dimethyl-8H-cyclohepta[b]quinolin-3-yl)-7-[3-(6-cyclohexa-1,5-dien-1-yl-2-phenylpyrimidin-4-yl)cyclohexa-1,5-dien-1-yl]benzo[c]carbazole (CID 142324495) is 11-(5-cyclohexa-1,5-dien-1-yl-11,11-dimethyl-8H-cyclohepta[b]quinolin-3-yl)-7-[3-(6-cyclohexa-1,5-dien-1-yl-2-phenylpyrimidin-4-yl)cyclohexa-1,5-dien-1-yl]benzo[c]carbazole.
What is the SMILES notation for 11-(5-cyclohexa-1,5-dien-1-yl-11,11-dimethyl-8H-cyclohepta[b]quinolin-3-yl)-7-[3-(6-cyclohexa-1,5-dien-1-yl-2-phenylpyrimidin-4-yl)cyclohexa-1,5-dien-1-yl]benzo[c]carbazole?
The canonical SMILES for 11-(5-cyclohexa-1,5-dien-1-yl-11,11-dimethyl-8H-cyclohepta[b]quinolin-3-yl)-7-[3-(6-cyclohexa-1,5-dien-1-yl-2-phenylpyrimidin-4-yl)cyclohexa-1,5-dien-1-yl]benzo[c]carbazole is CC1(C)C2=C(C=CCC=C2)N(C2=CCCC=C2)c2cc(-c3cccc4c3c3c5ccccc5ccc3n4C3=CC(c4cc(C5=CCCC=C5)nc(-c5ccccc5)n4)CC=C3)ccc21.
What is the InChIKey of 11-(5-cyclohexa-1,5-dien-1-yl-11,11-dimethyl-8H-cyclohepta[b]quinolin-3-yl)-7-[3-(6-cyclohexa-1,5-dien-1-yl-2-phenylpyrimidin-4-yl)cyclohexa-1,5-dien-1-yl]benzo[c]carbazole?
The InChIKey is VRCXKEXJHPCMCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H50N4/c1-60(2)49-30-13-6-14-31-53(49)63(45-25-11-5-12-26-45)56-38-43(33-35-50(56)60)48-29-18-32-54-58(48)57-47-28-16-15-19-40(47)34-36-55(57)64(54)46-27-17-24-44(37-46)52-39-51(41-20-7-3-8-21-41)61-59(62-52)42-22-9-4-10-23-42/h4,7,9-11,13-23,25-39,44H,3,5-6,8,12,24H2,1-2H3.
What are the key properties of 11-(5-cyclohexa-1,5-dien-1-yl-11,11-dimethyl-8H-cyclohepta[b]quinolin-3-yl)-7-[3-(6-cyclohexa-1,5-dien-1-yl-2-phenylpyrimidin-4-yl)cyclohexa-1,5-dien-1-yl]benzo[c]carbazole?
11-(5-cyclohexa-1,5-dien-1-yl-11,11-dimethyl-8H-cyclohepta[b]quinolin-3-yl)-7-[3-(6-cyclohexa-1,5-dien-1-yl-2-phenylpyrimidin-4-yl)cyclohexa-1,5-dien-1-yl]benzo[c]carbazole has a molecular weight of 827.09 g/mol, XLogP of 15.49, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(5-cyclohexa-1,5-dien-1-yl-11,11-dimethyl-8H-cyclohepta[b]quinolin-3-yl)-7-[3-(6-cyclohexa-1,5-dien-1-yl-2-phenylpyrimidin-4-yl)cyclohexa-1,5-dien-1-yl]benzo[c]carbazole is sourced from PubChem (CID 142324495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).