3-[4-(1,2-dihydrocarbazol-9-yl)cyclohexa-1,5-dien-1-yl]-9-[4-(10-phenyl-3,4-dihydroanthracen-9-yl)phenyl]-6-spiro[1,9a-dihydrofluorene-9,9'-fluorene]-2-ylcarbazole

C81H58N2 — CID 163546782

IUPAC3-[4-(1,2-dihydrocarbazol-9-yl)cyclohexa-1,5-dien-1-yl]-9-[4-(10-phenyl-3,4-dihydroanthracen-9-yl)phenyl]-6-spiro[1,9a-dihydrofluorene-9,9'-fluorene]-2-ylcarbazole
SMILESC1=Cc2c(c(-c3ccccc3)c3ccccc3c2-c2ccc(-n3c4ccc(C5=CCC(n6c7c(c8ccccc86)C=CCC7)C=C5)cc4c4cc(C5=CC=C6c7ccccc7C7(c8ccccc8-c8ccccc87)C6C5)ccc43)cc2)CC1
InChIInChI=1S/C81H58N2/c1-2-18-52(19-3-1)79-65-25-4-6-27-67(65)80(68-28-7-5-26-66(68)79)53-36-43-58(44-37-53)83-77-46-39-54(51-34-41-57(42-35-51)82-75-32-16-11-23-63(75)64-24-12-17-33-76(64)82)48-69(77)70-49-55(40-47-78(70)83)56-38-45-62-61-22-10-15-31-73(61)81(74(62)50-56)71-29-13-8-20-59(71)60-21-9-14-30-72(60)81/h1-4,6-16,18-25,27-32,34-41,43-49,57,74H,5,17,26,33,42,50H2
InChIKeyFFRPQHUVVPNVIZ-UHFFFAOYSA-N
MW1059.37 g/mol
LogP20.54
Rot. Bonds6

About 3-[4-(1,2-dihydrocarbazol-9-yl)cyclohexa-1,5-dien-1-yl]-9-[4-(10-phenyl-3,4-dihydroanthracen-9-yl)phenyl]-6-spiro[1,9a-dihydrofluorene-9,9'-fluorene]-2-ylcarbazole

3-[4-(1,2-dihydrocarbazol-9-yl)cyclohexa-1,5-dien-1-yl]-9-[4-(10-phenyl-3,4-dihydroanthracen-9-yl)phenyl]-6-spiro[1,9a-dihydrofluorene-9,9'-fluorene]-2-ylcarbazole (PubChem CID 163546782) has the molecular formula C81H58N2 and a molecular weight of 1059.37 g/mol. Its IUPAC name is 3-[4-(1,2-dihydrocarbazol-9-yl)cyclohexa-1,5-dien-1-yl]-9-[4-(10-phenyl-3,4-dihydroanthracen-9-yl)phenyl]-6-spiro[1,9a-dihydrofluorene-9,9'-fluorene]-2-ylcarbazole.

Molecular Properties

Compound Name3-[4-(1,2-dihydrocarbazol-9-yl)cyclohexa-1,5-dien-1-yl]-9-[4-(10-phenyl-3,4-dihydroanthracen-9-yl)phenyl]-6-spiro[1,9a-dihydrofluorene-9,9'-fluorene]-2-ylcarbazole
PubChem CID163546782
Molecular FormulaC81H58N2
Molecular Weight1059.37 g/mol
Exact Mass1058.46
IUPAC Name3-[4-(1,2-dihydrocarbazol-9-yl)cyclohexa-1,5-dien-1-yl]-9-[4-(10-phenyl-3,4-dihydroanthracen-9-yl)phenyl]-6-spiro[1,9a-dihydrofluorene-9,9'-fluorene]-2-ylcarbazole
SMILESC1=Cc2c(c(-c3ccccc3)c3ccccc3c2-c2ccc(-n3c4ccc(C5=CCC(n6c7c(c8ccccc86)C=CCC7)C=C5)cc4c4cc(C5=CC=C6c7ccccc7C7(c8ccccc8-c8ccccc87)C6C5)ccc43)cc2)CC1
InChIInChI=1S/C81H58N2/c1-2-18-52(19-3-1)79-65-25-4-6-27-67(65)80(68-28-7-5-26-66(68)79)53-36-43-58(44-37-53)83-77-46-39-54(51-34-41-57(42-35-51)82-75-32-16-11-23-63(75)64-24-12-17-33-76(64)82)48-69(77)70-49-55(40-47-78(70)83)56-38-45-62-61-22-10-15-31-73(61)81(74(62)50-56)71-29-13-8-20-59(71)60-21-9-14-30-72(60)81/h1-4,6-16,18-25,27-32,34-41,43-49,57,74H,5,17,26,33,42,50H2
InChIKeyFFRPQHUVVPNVIZ-UHFFFAOYSA-N
XLogP20.54
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms83
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001059.37
LogP ≤ 520.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-[4-(1,2-dihydrocarbazol-9-yl)cyclohexa-1,5-dien-1-yl]-9-[4-(10-phenyl-3,4-dihydroanthracen-9-yl)phenyl]-6-spiro[1,9a-dihydrofluorene-9,9'-fluorene]-2-ylcarbazole with MolForge

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Related Compounds

11-[4-(4-cyclohexa-1,3-dien-1-yl-6-cyclohexa-1,5-dien-1-ylpyrimidin-2-yl)cyclohexa-2,4-dien-1-yl]-5-[4-(4-cyclohexa-1,3-dien-1-yl-6-cyclohexa-1,5-dien-1-ylpyrimidin-2-yl)phenyl]-9,10-dihydroindolo[3,2-b]carbazole
CID 170205856
9-[4-(10-phenylanthracen-9-yl)phenyl]-1,2-dihydrocarbazole
CID 143437997
3-(4-carbazol-9-yl-2,5-dimethylphenyl)-9-[4-(10-phenyl-3,4-dihydroanthracen-9-yl)phenyl]carbazole
CID 163710464
9-phenyl-6-[4-(10-phenylanthracen-9-yl)cyclohexa-1,3-dien-1-yl]-1,2-dihydrocarbazole
CID 88932452
9-(9,9-dimethylfluoren-2-yl)-3-(9-phenyl-7,8-dihydrocarbazol-3-yl)carbazole
CID 146564352
9-(4-phenylcyclohexa-2,4-dien-1-yl)-14-(4-phenylphenyl)-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 170086624
9-[6-(1,2-dihydrocarbazol-9-yl)-9,10-diphenylanthracen-2-yl]carbazole
CID 89110822
3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,8-dihydrocarbazol-3-yl]-9-phenylcarbazole
CID 67950571
1-[4-(10-naphthalen-2-yl-3,4-dihydroanthracen-9-yl)phenyl]-2-phenylbenzimidazole
CID 147716479
3,9-diphenyl-6-(9-phenyl-7,8-dihydrocarbazol-3-yl)carbazole
CID 144650120
9-phenyl-3-[10-[7-[10-(9-phenylcarbazol-3-yl)anthracen-9-yl]dibenzothiophen-4-yl]-1,2-dihydroanthracen-9-yl]carbazole
CID 166689866
3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(4-phenylcyclohexa-2,4-dien-1-yl)carbazole
CID 139447207

Frequently Asked Questions

What is the IUPAC name of 3-[4-(1,2-dihydrocarbazol-9-yl)cyclohexa-1,5-dien-1-yl]-9-[4-(10-phenyl-3,4-dihydroanthracen-9-yl)phenyl]-6-spiro[1,9a-dihydrofluorene-9,9'-fluorene]-2-ylcarbazole?
The IUPAC name of 3-[4-(1,2-dihydrocarbazol-9-yl)cyclohexa-1,5-dien-1-yl]-9-[4-(10-phenyl-3,4-dihydroanthracen-9-yl)phenyl]-6-spiro[1,9a-dihydrofluorene-9,9'-fluorene]-2-ylcarbazole (CID 163546782) is 3-[4-(1,2-dihydrocarbazol-9-yl)cyclohexa-1,5-dien-1-yl]-9-[4-(10-phenyl-3,4-dihydroanthracen-9-yl)phenyl]-6-spiro[1,9a-dihydrofluorene-9,9'-fluorene]-2-ylcarbazole.
What is the SMILES notation for 3-[4-(1,2-dihydrocarbazol-9-yl)cyclohexa-1,5-dien-1-yl]-9-[4-(10-phenyl-3,4-dihydroanthracen-9-yl)phenyl]-6-spiro[1,9a-dihydrofluorene-9,9'-fluorene]-2-ylcarbazole?
The canonical SMILES for 3-[4-(1,2-dihydrocarbazol-9-yl)cyclohexa-1,5-dien-1-yl]-9-[4-(10-phenyl-3,4-dihydroanthracen-9-yl)phenyl]-6-spiro[1,9a-dihydrofluorene-9,9'-fluorene]-2-ylcarbazole is C1=Cc2c(c(-c3ccccc3)c3ccccc3c2-c2ccc(-n3c4ccc(C5=CCC(n6c7c(c8ccccc86)C=CCC7)C=C5)cc4c4cc(C5=CC=C6c7ccccc7C7(c8ccccc8-c8ccccc87)C6C5)ccc43)cc2)CC1.
What is the InChIKey of 3-[4-(1,2-dihydrocarbazol-9-yl)cyclohexa-1,5-dien-1-yl]-9-[4-(10-phenyl-3,4-dihydroanthracen-9-yl)phenyl]-6-spiro[1,9a-dihydrofluorene-9,9'-fluorene]-2-ylcarbazole?
The InChIKey is FFRPQHUVVPNVIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C81H58N2/c1-2-18-52(19-3-1)79-65-25-4-6-27-67(65)80(68-28-7-5-26-66(68)79)53-36-43-58(44-37-53)83-77-46-39-54(51-34-41-57(42-35-51)82-75-32-16-11-23-63(75)64-24-12-17-33-76(64)82)48-69(77)70-49-55(40-47-78(70)83)56-38-45-62-61-22-10-15-31-73(61)81(74(62)50-56)71-29-13-8-20-59(71)60-21-9-14-30-72(60)81/h1-4,6-16,18-25,27-32,34-41,43-49,57,74H,5,17,26,33,42,50H2.
What are the key properties of 3-[4-(1,2-dihydrocarbazol-9-yl)cyclohexa-1,5-dien-1-yl]-9-[4-(10-phenyl-3,4-dihydroanthracen-9-yl)phenyl]-6-spiro[1,9a-dihydrofluorene-9,9'-fluorene]-2-ylcarbazole?
3-[4-(1,2-dihydrocarbazol-9-yl)cyclohexa-1,5-dien-1-yl]-9-[4-(10-phenyl-3,4-dihydroanthracen-9-yl)phenyl]-6-spiro[1,9a-dihydrofluorene-9,9'-fluorene]-2-ylcarbazole has a molecular weight of 1059.37 g/mol, XLogP of 20.54, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1,2-dihydrocarbazol-9-yl)cyclohexa-1,5-dien-1-yl]-9-[4-(10-phenyl-3,4-dihydroanthracen-9-yl)phenyl]-6-spiro[1,9a-dihydrofluorene-9,9'-fluorene]-2-ylcarbazole is sourced from PubChem (CID 163546782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).