9-[9-[9-[4-(4-cyclohexa-1,5-dien-1-ylphenyl)phenyl]-6,7-dihydrocarbazol-4-yl]-5,6,7,8-tetrahydrocarbazol-3-yl]carbazole

C54H43N3 — CID 170374023

IUPAC9-[9-[9-[4-(4-cyclohexa-1,5-dien-1-ylphenyl)phenyl]-6,7-dihydrocarbazol-4-yl]-5,6,7,8-tetrahydrocarbazol-3-yl]carbazole
SMILESC1=CC(c2ccc(-c3ccc(-n4c5c(c6c(-n7c8c(c9cc(-n%10c%11ccccc%11c%11ccccc%11%10)ccc97)CCCC8)cccc64)=CCCC=5)cc3)cc2)=CCC1
InChIInChI=1S/C54H43N3/c1-2-13-36(14-3-1)37-25-27-38(28-26-37)39-29-31-40(32-30-39)55-50-22-11-7-18-45(50)54-52(55)23-12-24-53(54)57-49-21-10-6-17-44(49)46-35-41(33-34-51(46)57)56-47-19-8-4-15-42(47)43-16-5-9-20-48(43)56/h2,4-5,8-9,12-16,18-20,22-35H,1,3,6-7,10-11,17,21H2
InChIKeySGDFOOPHPLADLE-UHFFFAOYSA-N
MW733.96 g/mol
LogP12.31
Rot. Bonds5

About 9-[9-[9-[4-(4-cyclohexa-1,5-dien-1-ylphenyl)phenyl]-6,7-dihydrocarbazol-4-yl]-5,6,7,8-tetrahydrocarbazol-3-yl]carbazole

9-[9-[9-[4-(4-cyclohexa-1,5-dien-1-ylphenyl)phenyl]-6,7-dihydrocarbazol-4-yl]-5,6,7,8-tetrahydrocarbazol-3-yl]carbazole (PubChem CID 170374023) has the molecular formula C54H43N3 and a molecular weight of 733.96 g/mol. Its IUPAC name is 9-[9-[9-[4-(4-cyclohexa-1,5-dien-1-ylphenyl)phenyl]-6,7-dihydrocarbazol-4-yl]-5,6,7,8-tetrahydrocarbazol-3-yl]carbazole.

Molecular Properties

Compound Name9-[9-[9-[4-(4-cyclohexa-1,5-dien-1-ylphenyl)phenyl]-6,7-dihydrocarbazol-4-yl]-5,6,7,8-tetrahydrocarbazol-3-yl]carbazole
PubChem CID170374023
Molecular FormulaC54H43N3
Molecular Weight733.96 g/mol
Exact Mass733.35
IUPAC Name9-[9-[9-[4-(4-cyclohexa-1,5-dien-1-ylphenyl)phenyl]-6,7-dihydrocarbazol-4-yl]-5,6,7,8-tetrahydrocarbazol-3-yl]carbazole
SMILESC1=CC(c2ccc(-c3ccc(-n4c5c(c6c(-n7c8c(c9cc(-n%10c%11ccccc%11c%11ccccc%11%10)ccc97)CCCC8)cccc64)=CCCC=5)cc3)cc2)=CCC1
InChIInChI=1S/C54H43N3/c1-2-13-36(14-3-1)37-25-27-38(28-26-37)39-29-31-40(32-30-39)55-50-22-11-7-18-45(50)54-52(55)23-12-24-53(54)57-49-21-10-6-17-44(49)46-35-41(33-34-51(46)57)56-47-19-8-4-15-42(47)43-16-5-9-20-48(43)56/h2,4-5,8-9,12-16,18-20,22-35H,1,3,6-7,10-11,17,21H2
InChIKeySGDFOOPHPLADLE-UHFFFAOYSA-N
XLogP12.31
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500733.96
LogP ≤ 512.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-(4-cyclohexa-1,5-dien-1-ylphenyl)-3-phenylcarbazole
CID 130456805
9-[3-(4-cyclohexa-1,5-dien-1-ylphenyl)phenyl]-14-[4-(3-phenylphenyl)phenyl]-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 177063273
9-[3-(4-cyclohexa-1,5-dien-1-ylphenyl)phenyl]-14-[4-(3-phenylphenyl)phenyl]-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;ethane
CID 177063272
9-[4-[6-(4-cyclohexa-1,5-dien-1-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]carbazole
CID 145283567
5-[9-[9-(4-phenylphenyl)carbazol-2-yl]carbazol-4-yl]-9,10-dihydro-8H-cyclohepta[b]indole
CID 170372142
3-cyclohexa-1,5-dien-1-yl-9-dibenzothiophen-1-ylcarbazole
CID 129111753
cyclohexa-1,5-dien-1-ylbenzene;9-(4-ethylphenyl)carbazole
CID 175264939
3-(9-cyclohexa-1,5-dien-1-ylcarbazol-3-yl)-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 123699580
24-(3-cyclohexa-1,5-dien-1-ylphenyl)-6,10-diphenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18,20,22,26-dodecaene;ethane
CID 144604490
8-(2,3-dihydrocarbazol-9-yl)-11-(2-methylphenyl)-5-phenyl-3-(3-phenylphenyl)indolo[3,2-b]carbazole
CID 91235557
4-cyclohexa-1,3-dien-1-yl-N-(4-cyclohexa-1,5-dien-1-ylphenyl)-N-[4-[4-(1,2,3,4,6,7-hexahydrocarbazol-9-yl)phenyl]phenyl]aniline
CID 170257238
9-[4-[3-[4-(2-cyclohexa-1,5-dien-1-yl-6-phenylpyrimidin-4-yl)phenyl]-5-(3,5-diphenylphenyl)phenyl]phenyl]carbazole
CID 67950891

Frequently Asked Questions

What is the IUPAC name of 9-[9-[9-[4-(4-cyclohexa-1,5-dien-1-ylphenyl)phenyl]-6,7-dihydrocarbazol-4-yl]-5,6,7,8-tetrahydrocarbazol-3-yl]carbazole?
The IUPAC name of 9-[9-[9-[4-(4-cyclohexa-1,5-dien-1-ylphenyl)phenyl]-6,7-dihydrocarbazol-4-yl]-5,6,7,8-tetrahydrocarbazol-3-yl]carbazole (CID 170374023) is 9-[9-[9-[4-(4-cyclohexa-1,5-dien-1-ylphenyl)phenyl]-6,7-dihydrocarbazol-4-yl]-5,6,7,8-tetrahydrocarbazol-3-yl]carbazole.
What is the SMILES notation for 9-[9-[9-[4-(4-cyclohexa-1,5-dien-1-ylphenyl)phenyl]-6,7-dihydrocarbazol-4-yl]-5,6,7,8-tetrahydrocarbazol-3-yl]carbazole?
The canonical SMILES for 9-[9-[9-[4-(4-cyclohexa-1,5-dien-1-ylphenyl)phenyl]-6,7-dihydrocarbazol-4-yl]-5,6,7,8-tetrahydrocarbazol-3-yl]carbazole is C1=CC(c2ccc(-c3ccc(-n4c5c(c6c(-n7c8c(c9cc(-n%10c%11ccccc%11c%11ccccc%11%10)ccc97)CCCC8)cccc64)=CCCC=5)cc3)cc2)=CCC1.
What is the InChIKey of 9-[9-[9-[4-(4-cyclohexa-1,5-dien-1-ylphenyl)phenyl]-6,7-dihydrocarbazol-4-yl]-5,6,7,8-tetrahydrocarbazol-3-yl]carbazole?
The InChIKey is SGDFOOPHPLADLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H43N3/c1-2-13-36(14-3-1)37-25-27-38(28-26-37)39-29-31-40(32-30-39)55-50-22-11-7-18-45(50)54-52(55)23-12-24-53(54)57-49-21-10-6-17-44(49)46-35-41(33-34-51(46)57)56-47-19-8-4-15-42(47)43-16-5-9-20-48(43)56/h2,4-5,8-9,12-16,18-20,22-35H,1,3,6-7,10-11,17,21H2.
What are the key properties of 9-[9-[9-[4-(4-cyclohexa-1,5-dien-1-ylphenyl)phenyl]-6,7-dihydrocarbazol-4-yl]-5,6,7,8-tetrahydrocarbazol-3-yl]carbazole?
9-[9-[9-[4-(4-cyclohexa-1,5-dien-1-ylphenyl)phenyl]-6,7-dihydrocarbazol-4-yl]-5,6,7,8-tetrahydrocarbazol-3-yl]carbazole has a molecular weight of 733.96 g/mol, XLogP of 12.31, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[9-[9-[4-(4-cyclohexa-1,5-dien-1-ylphenyl)phenyl]-6,7-dihydrocarbazol-4-yl]-5,6,7,8-tetrahydrocarbazol-3-yl]carbazole is sourced from PubChem (CID 170374023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).