9-[9-[4-[4-[7-(1,2,3,4-tetrahydrocarbazol-9-yl)-1,2,5,6-tetrahydrocarbazol-9-yl]phenyl]phenyl]-1,2,3,4,5,6-hexahydrocarbazol-2-yl]-4a,9a-dihydrocarbazole

C60H54N4 — CID 166943266

IUPAC9-[9-[4-[4-[7-(1,2,3,4-tetrahydrocarbazol-9-yl)-1,2,5,6-tetrahydrocarbazol-9-yl]phenyl]phenyl]-1,2,3,4,5,6-hexahydrocarbazol-2-yl]-4a,9a-dihydrocarbazole
SMILESC1=CC2c3ccccc3N(C3CCc4c5c(n(-c6ccc(-c7ccc(-n8c9c(c%10c8CCC=C%10)CCC(n8c%10c(c%11ccccc%118)CCCC%10)=C9)cc7)cc6)c4C3)C=CCC5)C2C=C1
InChIInChI=1S/C60H54N4/c1-9-21-55-45(13-1)46-14-2-10-22-56(46)63(55)43-33-35-51-49-17-5-7-19-53(49)61(59(51)37-43)41-29-25-39(26-30-41)40-27-31-42(32-28-40)62-54-20-8-6-18-50(54)52-36-34-44(38-60(52)62)64-57-23-11-3-15-47(57)48-16-4-12-24-58(48)64/h1-3,6-7,9-11,13-15,18-19,21-23,25-32,38,43,45,55H,4-5,8,12,16-17,20,24,33-37H2
InChIKeySKNPZUGLZNIPDH-UHFFFAOYSA-N
MW831.12 g/mol
LogP13.59
Rot. Bonds5

About 9-[9-[4-[4-[7-(1,2,3,4-tetrahydrocarbazol-9-yl)-1,2,5,6-tetrahydrocarbazol-9-yl]phenyl]phenyl]-1,2,3,4,5,6-hexahydrocarbazol-2-yl]-4a,9a-dihydrocarbazole

9-[9-[4-[4-[7-(1,2,3,4-tetrahydrocarbazol-9-yl)-1,2,5,6-tetrahydrocarbazol-9-yl]phenyl]phenyl]-1,2,3,4,5,6-hexahydrocarbazol-2-yl]-4a,9a-dihydrocarbazole (PubChem CID 166943266) has the molecular formula C60H54N4 and a molecular weight of 831.12 g/mol. Its IUPAC name is 9-[9-[4-[4-[7-(1,2,3,4-tetrahydrocarbazol-9-yl)-1,2,5,6-tetrahydrocarbazol-9-yl]phenyl]phenyl]-1,2,3,4,5,6-hexahydrocarbazol-2-yl]-4a,9a-dihydrocarbazole.

Molecular Properties

Compound Name9-[9-[4-[4-[7-(1,2,3,4-tetrahydrocarbazol-9-yl)-1,2,5,6-tetrahydrocarbazol-9-yl]phenyl]phenyl]-1,2,3,4,5,6-hexahydrocarbazol-2-yl]-4a,9a-dihydrocarbazole
PubChem CID166943266
Molecular FormulaC60H54N4
Molecular Weight831.12 g/mol
Exact Mass830.43
IUPAC Name9-[9-[4-[4-[7-(1,2,3,4-tetrahydrocarbazol-9-yl)-1,2,5,6-tetrahydrocarbazol-9-yl]phenyl]phenyl]-1,2,3,4,5,6-hexahydrocarbazol-2-yl]-4a,9a-dihydrocarbazole
SMILESC1=CC2c3ccccc3N(C3CCc4c5c(n(-c6ccc(-c7ccc(-n8c9c(c%10c8CCC=C%10)CCC(n8c%10c(c%11ccccc%118)CCCC%10)=C9)cc7)cc6)c4C3)C=CCC5)C2C=C1
InChIInChI=1S/C60H54N4/c1-9-21-55-45(13-1)46-14-2-10-22-56(46)63(55)43-33-35-51-49-17-5-7-19-53(49)61(59(51)37-43)41-29-25-39(26-30-41)40-27-31-42(32-28-40)62-54-20-8-6-18-50(54)52-36-34-44(38-60(52)62)64-57-23-11-3-15-47(57)48-16-4-12-24-58(48)64/h1-3,6-7,9-11,13-15,18-19,21-23,25-32,38,43,45,55H,4-5,8,12,16-17,20,24,33-37H2
InChIKeySKNPZUGLZNIPDH-UHFFFAOYSA-N
XLogP13.59
TPSA18.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500831.12
LogP ≤ 513.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9-[9-[4-[4-[7-(1,2,3,4-tetrahydrocarbazol-9-yl)-1,2,5,6-tetrahydrocarbazol-9-yl]phenyl]phenyl]-1,2,3,4,5,6-hexahydrocarbazol-2-yl]-4a,9a-dihydrocarbazole with MolForge

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Related Compounds

9-[4-[4-[4-(4a,9a-dihydrocarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3,4-dihydrocarbazole
CID 137401527
4-(4a,9a-dihydrocarbazol-9-yl)-N-(4-carbazol-9-ylphenyl)-N-[4-(3,4-dihydrocarbazol-9-yl)phenyl]aniline
CID 146413450
9-[4-[10-[4-(4a,9a-dihydrocarbazol-9-yl)phenyl]anthracen-9-yl]cyclohexa-2,4-dien-1-yl]-3,4-dihydrocarbazole
CID 142867894
9-[3-(4a,9a-dihydrocarbazol-9-yl)-7-(1,2-dihydrocarbazol-9-yl)benzo[a]anthracen-12-yl]carbazole
CID 89220145
1-[3-(4a,9a-dihydrocarbazol-9-yl)-5-(1,2-dihydrocarbazol-9-yl)phenyl]-3-[3,5-di(carbazol-9-yl)phenyl]benzimidazol-2-one
CID 89129785
9-[4-[[4-[4-(3,4,5,6-tetrahydrocarbazol-9-yl)phenyl]phenyl]methyl]phenyl]carbazole
CID 143423702
9-(4-phenylphenyl)-5-[9-(4-phenylphenyl)-3,4,7,8-tetrahydrocarbazol-4-yl]-1,2-dihydrocarbazole
CID 142352784
9-[4-[1-[4-(1,2,5,6-tetrahydrocarbazol-9-yl)cyclohexa-1,5-dien-1-yl]cyclohexyl]phenyl]-4a,9a-dihydrocarbazole
CID 163782469
3-[2-(4a,9a-dihydrocarbazol-9-yl)phenyl]-6-[3-(3,4-dihydrocarbazol-9-yl)phenyl]benzene-1,2-dicarbonitrile
CID 167280225
9-[4-(4a,9a-dihydrocarbazol-9-yl)phenyl]carbazole
CID 155323557
5-[4-[4-(4a,9a-dihydrocarbazol-9-yl)phenyl]-5-methylcyclohexa-1,3-dien-1-yl]-6H-cyclohepta[b]indole
CID 138632952
9-[2-[4-(4-carbazol-9-yl-3-cyanophenyl)phenyl]phenyl]-3,4,7,8-tetrahydrocarbazole-2-carbonitrile
CID 167280339

Frequently Asked Questions

What is the IUPAC name of 9-[9-[4-[4-[7-(1,2,3,4-tetrahydrocarbazol-9-yl)-1,2,5,6-tetrahydrocarbazol-9-yl]phenyl]phenyl]-1,2,3,4,5,6-hexahydrocarbazol-2-yl]-4a,9a-dihydrocarbazole?
The IUPAC name of 9-[9-[4-[4-[7-(1,2,3,4-tetrahydrocarbazol-9-yl)-1,2,5,6-tetrahydrocarbazol-9-yl]phenyl]phenyl]-1,2,3,4,5,6-hexahydrocarbazol-2-yl]-4a,9a-dihydrocarbazole (CID 166943266) is 9-[9-[4-[4-[7-(1,2,3,4-tetrahydrocarbazol-9-yl)-1,2,5,6-tetrahydrocarbazol-9-yl]phenyl]phenyl]-1,2,3,4,5,6-hexahydrocarbazol-2-yl]-4a,9a-dihydrocarbazole.
What is the SMILES notation for 9-[9-[4-[4-[7-(1,2,3,4-tetrahydrocarbazol-9-yl)-1,2,5,6-tetrahydrocarbazol-9-yl]phenyl]phenyl]-1,2,3,4,5,6-hexahydrocarbazol-2-yl]-4a,9a-dihydrocarbazole?
The canonical SMILES for 9-[9-[4-[4-[7-(1,2,3,4-tetrahydrocarbazol-9-yl)-1,2,5,6-tetrahydrocarbazol-9-yl]phenyl]phenyl]-1,2,3,4,5,6-hexahydrocarbazol-2-yl]-4a,9a-dihydrocarbazole is C1=CC2c3ccccc3N(C3CCc4c5c(n(-c6ccc(-c7ccc(-n8c9c(c%10c8CCC=C%10)CCC(n8c%10c(c%11ccccc%118)CCCC%10)=C9)cc7)cc6)c4C3)C=CCC5)C2C=C1.
What is the InChIKey of 9-[9-[4-[4-[7-(1,2,3,4-tetrahydrocarbazol-9-yl)-1,2,5,6-tetrahydrocarbazol-9-yl]phenyl]phenyl]-1,2,3,4,5,6-hexahydrocarbazol-2-yl]-4a,9a-dihydrocarbazole?
The InChIKey is SKNPZUGLZNIPDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H54N4/c1-9-21-55-45(13-1)46-14-2-10-22-56(46)63(55)43-33-35-51-49-17-5-7-19-53(49)61(59(51)37-43)41-29-25-39(26-30-41)40-27-31-42(32-28-40)62-54-20-8-6-18-50(54)52-36-34-44(38-60(52)62)64-57-23-11-3-15-47(57)48-16-4-12-24-58(48)64/h1-3,6-7,9-11,13-15,18-19,21-23,25-32,38,43,45,55H,4-5,8,12,16-17,20,24,33-37H2.
What are the key properties of 9-[9-[4-[4-[7-(1,2,3,4-tetrahydrocarbazol-9-yl)-1,2,5,6-tetrahydrocarbazol-9-yl]phenyl]phenyl]-1,2,3,4,5,6-hexahydrocarbazol-2-yl]-4a,9a-dihydrocarbazole?
9-[9-[4-[4-[7-(1,2,3,4-tetrahydrocarbazol-9-yl)-1,2,5,6-tetrahydrocarbazol-9-yl]phenyl]phenyl]-1,2,3,4,5,6-hexahydrocarbazol-2-yl]-4a,9a-dihydrocarbazole has a molecular weight of 831.12 g/mol, XLogP of 13.59, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[9-[4-[4-[7-(1,2,3,4-tetrahydrocarbazol-9-yl)-1,2,5,6-tetrahydrocarbazol-9-yl]phenyl]phenyl]-1,2,3,4,5,6-hexahydrocarbazol-2-yl]-4a,9a-dihydrocarbazole is sourced from PubChem (CID 166943266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).