(6Z,8Z)-3'-[9-[3-(3,5-diphenylphenyl)phenyl]carbazol-3-yl]-12'-(2,6-diphenyl-4-pyridinyl)-5-methylidenespiro[10H-benzo[9]annulene-11,7'-indeno[1,2-a]carbazole]

C85H57N3 — CID 118613564

IUPAC(6Z,8Z)-3'-[9-[3-(3,5-diphenylphenyl)phenyl]carbazol-3-yl]-12'-(2,6-diphenyl-4-pyridinyl)-5-methylidenespiro[10H-benzo[9]annulene-11,7'-indeno[1,2-a]carbazole]
SMILESC=C1/C=C\C=C/CC2(c3ccccc31)c1ccccc1-c1c2ccc2c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cccc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)c4)ccc3n(-c3cc(-c4ccccc4)nc(-c4ccccc4)c3)c12
InChIInChI=1S/C85H57N3/c1-56-24-7-6-22-47-85(75-38-19-16-35-69(56)75)76-39-20-17-37-72(76)83-77(85)44-43-71-74-53-63(42-46-82(74)88(84(71)83)68-54-78(59-29-12-4-13-30-59)86-79(55-68)60-31-14-5-15-32-60)62-41-45-81-73(52-62)70-36-18-21-40-80(70)87(81)67-34-23-33-61(51-67)66-49-64(57-25-8-2-9-26-57)48-65(50-66)58-27-10-3-11-28-58/h2-46,48-55H,1,47H2/b22-6-,24-7-
InChIKeyRHFVTRQZBLCUIV-KBHQAFMJSA-N
MW1120.41 g/mol
LogP22.12
Rot. Bonds8

About (6Z,8Z)-3'-[9-[3-(3,5-diphenylphenyl)phenyl]carbazol-3-yl]-12'-(2,6-diphenyl-4-pyridinyl)-5-methylidenespiro[10H-benzo[9]annulene-11,7'-indeno[1,2-a]carbazole]

(6Z,8Z)-3'-[9-[3-(3,5-diphenylphenyl)phenyl]carbazol-3-yl]-12'-(2,6-diphenyl-4-pyridinyl)-5-methylidenespiro[10H-benzo[9]annulene-11,7'-indeno[1,2-a]carbazole] (PubChem CID 118613564) has the molecular formula C85H57N3 and a molecular weight of 1120.41 g/mol. Its IUPAC name is (6Z,8Z)-3'-[9-[3-(3,5-diphenylphenyl)phenyl]carbazol-3-yl]-12'-(2,6-diphenyl-4-pyridinyl)-5-methylidenespiro[10H-benzo[9]annulene-11,7'-indeno[1,2-a]carbazole].

Molecular Properties

Compound Name(6Z,8Z)-3'-[9-[3-(3,5-diphenylphenyl)phenyl]carbazol-3-yl]-12'-(2,6-diphenyl-4-pyridinyl)-5-methylidenespiro[10H-benzo[9]annulene-11,7'-indeno[1,2-a]carbazole]
PubChem CID118613564
Molecular FormulaC85H57N3
Molecular Weight1120.41 g/mol
Exact Mass1119.46
IUPAC Name(6Z,8Z)-3'-[9-[3-(3,5-diphenylphenyl)phenyl]carbazol-3-yl]-12'-(2,6-diphenyl-4-pyridinyl)-5-methylidenespiro[10H-benzo[9]annulene-11,7'-indeno[1,2-a]carbazole]
SMILESC=C1/C=C\C=C/CC2(c3ccccc31)c1ccccc1-c1c2ccc2c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cccc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)c4)ccc3n(-c3cc(-c4ccccc4)nc(-c4ccccc4)c3)c12
InChIInChI=1S/C85H57N3/c1-56-24-7-6-22-47-85(75-38-19-16-35-69(56)75)76-39-20-17-37-72(76)83-77(85)44-43-71-74-53-63(42-46-82(74)88(84(71)83)68-54-78(59-29-12-4-13-30-59)86-79(55-68)60-31-14-5-15-32-60)62-41-45-81-73(52-62)70-36-18-21-40-80(70)87(81)67-34-23-33-61(51-67)66-49-64(57-25-8-2-9-26-57)48-65(50-66)58-27-10-3-11-28-58/h2-46,48-55H,1,47H2/b22-6-,24-7-
InChIKeyRHFVTRQZBLCUIV-KBHQAFMJSA-N
XLogP22.12
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms88
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001120.41
LogP ≤ 522.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (6Z,8Z)-3'-[9-[3-(3,5-diphenylphenyl)phenyl]carbazol-3-yl]-12'-(2,6-diphenyl-4-pyridinyl)-5-methylidenespiro[10H-benzo[9]annulene-11,7'-indeno[1,2-a]carbazole] with MolForge

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Related Compounds

3-[9-[4-[(6Z,8Z)-11,11-dimethyl-5-methylidene-10H-benzo[9]annulen-2-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 118198571
7,7-diphenyl-12-(3-phenylphenyl)-3-[9-(3-phenylphenyl)carbazol-3-yl]indeno[1,2-a]carbazole
CID 121343577
12'-[4-[4-(3-carbazol-9-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole]
CID 169014741
12'-[4-[3-(3,5-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-3'-(9-phenylcarbazol-3-yl)spiro[fluorene-9,7'-indeno[1,2-a]carbazole]
CID 118613483
3-[9-(3,5-diphenylphenyl)carbazol-1-yl]-9-(4-phenylphenyl)carbazole;3-(9-phenylcarbazol-1-yl)-9-(3-phenylphenyl)carbazole;9-(3-phenylphenyl)-1-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 159712744
3'-[(6Z,8Z)-12'-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-methylidenespiro[10H-benzo[9]annulene-11,7'-indeno[1,2-a]carbazole]-3'-yl]-N'-[C-phenyl-N-(1-phenylethenyl)carbonimidoyl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole]-12'-carboximidamide
CID 118613563
12-[4-[2,6-bis[3-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)phenyl]pyrimidin-4-yl]phenyl]-7,7-dimethylindeno[1,2-a]carbazole
CID 126630670
6-[9-(3,5-diphenylphenyl)carbazol-3-yl]-1,9-diphenylcarbazole
CID 170072372
1-[9-(3-phenylphenyl)carbazol-3-yl]-9-[4-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]carbazole
CID 154590389
9-[3-[2-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)-4-pyridinyl]phenyl]carbazole
CID 130355607
2-[3-[3-[4-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-9-yl]phenyl]-9-phenylcarbazole
CID 118149380
3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(3,5-diphenylphenyl)carbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;9-(2,6-diphenyl-4-pyridinyl)-3-[9-(2,6-diphenyl-4-pyridinyl)carbazol-3-yl]carbazole;9-(2,6-diphenyl-4-pyridinyl)-3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]carbazole
CID 160723883

Frequently Asked Questions

What is the IUPAC name of (6Z,8Z)-3'-[9-[3-(3,5-diphenylphenyl)phenyl]carbazol-3-yl]-12'-(2,6-diphenyl-4-pyridinyl)-5-methylidenespiro[10H-benzo[9]annulene-11,7'-indeno[1,2-a]carbazole]?
The IUPAC name of (6Z,8Z)-3'-[9-[3-(3,5-diphenylphenyl)phenyl]carbazol-3-yl]-12'-(2,6-diphenyl-4-pyridinyl)-5-methylidenespiro[10H-benzo[9]annulene-11,7'-indeno[1,2-a]carbazole] (CID 118613564) is (6Z,8Z)-3'-[9-[3-(3,5-diphenylphenyl)phenyl]carbazol-3-yl]-12'-(2,6-diphenyl-4-pyridinyl)-5-methylidenespiro[10H-benzo[9]annulene-11,7'-indeno[1,2-a]carbazole].
What is the SMILES notation for (6Z,8Z)-3'-[9-[3-(3,5-diphenylphenyl)phenyl]carbazol-3-yl]-12'-(2,6-diphenyl-4-pyridinyl)-5-methylidenespiro[10H-benzo[9]annulene-11,7'-indeno[1,2-a]carbazole]?
The canonical SMILES for (6Z,8Z)-3'-[9-[3-(3,5-diphenylphenyl)phenyl]carbazol-3-yl]-12'-(2,6-diphenyl-4-pyridinyl)-5-methylidenespiro[10H-benzo[9]annulene-11,7'-indeno[1,2-a]carbazole] is C=C1/C=C\C=C/CC2(c3ccccc31)c1ccccc1-c1c2ccc2c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cccc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)c4)ccc3n(-c3cc(-c4ccccc4)nc(-c4ccccc4)c3)c12.
What is the InChIKey of (6Z,8Z)-3'-[9-[3-(3,5-diphenylphenyl)phenyl]carbazol-3-yl]-12'-(2,6-diphenyl-4-pyridinyl)-5-methylidenespiro[10H-benzo[9]annulene-11,7'-indeno[1,2-a]carbazole]?
The InChIKey is RHFVTRQZBLCUIV-KBHQAFMJSA-N. The full InChI is InChI=1S/C85H57N3/c1-56-24-7-6-22-47-85(75-38-19-16-35-69(56)75)76-39-20-17-37-72(76)83-77(85)44-43-71-74-53-63(42-46-82(74)88(84(71)83)68-54-78(59-29-12-4-13-30-59)86-79(55-68)60-31-14-5-15-32-60)62-41-45-81-73(52-62)70-36-18-21-40-80(70)87(81)67-34-23-33-61(51-67)66-49-64(57-25-8-2-9-26-57)48-65(50-66)58-27-10-3-11-28-58/h2-46,48-55H,1,47H2/b22-6-,24-7-.
What are the key properties of (6Z,8Z)-3'-[9-[3-(3,5-diphenylphenyl)phenyl]carbazol-3-yl]-12'-(2,6-diphenyl-4-pyridinyl)-5-methylidenespiro[10H-benzo[9]annulene-11,7'-indeno[1,2-a]carbazole]?
(6Z,8Z)-3'-[9-[3-(3,5-diphenylphenyl)phenyl]carbazol-3-yl]-12'-(2,6-diphenyl-4-pyridinyl)-5-methylidenespiro[10H-benzo[9]annulene-11,7'-indeno[1,2-a]carbazole] has a molecular weight of 1120.41 g/mol, XLogP of 22.12, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z,8Z)-3'-[9-[3-(3,5-diphenylphenyl)phenyl]carbazol-3-yl]-12'-(2,6-diphenyl-4-pyridinyl)-5-methylidenespiro[10H-benzo[9]annulene-11,7'-indeno[1,2-a]carbazole] is sourced from PubChem (CID 118613564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).