8-(10-cyclohexa-1,3-dien-1-yl-4a,9a-dihydroanthracen-9-yl)-2-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-6,6,12,12-tetramethyl-1,9,10,12a-tetrahydroindeno[1,2-b]fluorene

C73H62 — CID 90843034

IUPAC8-(10-cyclohexa-1,3-dien-1-yl-4a,9a-dihydroanthracen-9-yl)-2-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-6,6,12,12-tetramethyl-1,9,10,12a-tetrahydroindeno[1,2-b]fluorene
SMILESCC1(C)C2=C(CCC(C3=c4ccccc4=C(C4=CC=CCC4)C4C=CC=CC34)=C2)c2cc3c(cc21)C1=CC=C(c2c4ccccc4c(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4ccccc24)CC1C3(C)C
InChIInChI=1S/C73H62/c1-71(2)61-31-19-18-22-47(61)48-35-32-44(38-62(48)71)69-55-27-14-16-29-57(55)70(58-30-17-15-28-56(58)69)46-34-37-50-60-42-65-59(41-66(60)73(5,6)64(50)40-46)49-36-33-45(39-63(49)72(65,3)4)68-53-25-12-10-23-51(53)67(43-20-8-7-9-21-43)52-24-11-13-26-54(52)68/h7-8,10-20,22-32,34-35,37-39,41-42,51,53,64H,9,21,33,36,40H2,1-6H3
InChIKeyTZRXWYRNZOZWII-UHFFFAOYSA-N
MW939.30 g/mol
LogP17.16
Rot. Bonds4

About 8-(10-cyclohexa-1,3-dien-1-yl-4a,9a-dihydroanthracen-9-yl)-2-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-6,6,12,12-tetramethyl-1,9,10,12a-tetrahydroindeno[1,2-b]fluorene

8-(10-cyclohexa-1,3-dien-1-yl-4a,9a-dihydroanthracen-9-yl)-2-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-6,6,12,12-tetramethyl-1,9,10,12a-tetrahydroindeno[1,2-b]fluorene (PubChem CID 90843034) has the molecular formula C73H62 and a molecular weight of 939.30 g/mol. Its IUPAC name is 8-(10-cyclohexa-1,3-dien-1-yl-4a,9a-dihydroanthracen-9-yl)-2-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-6,6,12,12-tetramethyl-1,9,10,12a-tetrahydroindeno[1,2-b]fluorene.

Molecular Properties

Compound Name8-(10-cyclohexa-1,3-dien-1-yl-4a,9a-dihydroanthracen-9-yl)-2-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-6,6,12,12-tetramethyl-1,9,10,12a-tetrahydroindeno[1,2-b]fluorene
PubChem CID90843034
Molecular FormulaC73H62
Molecular Weight939.30 g/mol
Exact Mass938.49
IUPAC Name8-(10-cyclohexa-1,3-dien-1-yl-4a,9a-dihydroanthracen-9-yl)-2-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-6,6,12,12-tetramethyl-1,9,10,12a-tetrahydroindeno[1,2-b]fluorene
SMILESCC1(C)C2=C(CCC(C3=c4ccccc4=C(C4=CC=CCC4)C4C=CC=CC34)=C2)c2cc3c(cc21)C1=CC=C(c2c4ccccc4c(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4ccccc24)CC1C3(C)C
InChIInChI=1S/C73H62/c1-71(2)61-31-19-18-22-47(61)48-35-32-44(38-62(48)71)69-55-27-14-16-29-57(55)70(58-30-17-15-28-56(58)69)46-34-37-50-60-42-65-59(41-66(60)73(5,6)64(50)40-46)49-36-33-45(39-63(49)72(65,3)4)68-53-25-12-10-23-51(53)67(43-20-8-7-9-21-43)52-24-11-13-26-54(52)68/h7-8,10-20,22-32,34-35,37-39,41-42,51,53,64H,9,21,33,36,40H2,1-6H3
InChIKeyTZRXWYRNZOZWII-UHFFFAOYSA-N
XLogP17.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500939.30
LogP ≤ 517.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 8-(10-cyclohexa-1,3-dien-1-yl-4a,9a-dihydroanthracen-9-yl)-2-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-6,6,12,12-tetramethyl-1,9,10,12a-tetrahydroindeno[1,2-b]fluorene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-[4-[4-[10-(9,9-dimethylfluoren-2-yl)-4a,9a-dihydroanthracen-9-yl]cyclohexa-1,3-dien-1-yl]-4a,8a-dihydronaphthalen-1-yl]-10-phenylanthracene
CID 91600105
2-cyclohexa-1,3-dien-1-yl-9,9-dimethylfluorene
CID 142381891
N-(3-cyclohexa-1,3-dien-1-yl-5-phenylphenyl)-N-[3-[4-[7-[4-[3-(N-(9,9-dimethylfluoren-2-yl)-3,5-diphenylanilino)phenyl]phenyl]-9,9-dimethyl-1,9a-dihydrofluoren-2-yl]phenyl]phenyl]-9,9-dimethylfluoren-2-amine
CID 89356006
6,12-bis(1,7,8,8a-tetrahydronaphthalen-1-yl)-3-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-1,9a-dihydrofluoren-2-yl]-1,2,4b,10,10a,10b-hexahydrochrysene
CID 90718313
2-N,6-N-bis(3,4-dihydronaphthalen-1-yl)-9-(9,9-dimethyl-3,4-dihydrofluoren-2-yl)-10-(9,9-dimethylfluoren-2-yl)-2-N,6-N-dinaphthalen-1-ylanthracene-2,6-diamine
CID 89187229
9-(9,9-dimethylfluoren-2-yl)-10-[10-[9,9-dimethyl-7-[10-(3-phenylphenyl)anthracen-9-yl]fluoren-2-yl]-4-methyl-4,4a-dihydroanthracen-9-yl]anthracene
CID 163884459
6-[9,10-bis(9,9-dimethylfluoren-2-yl)anthracen-2-yl]benzene-1,2,3,4,5-pentol
CID 149227774
5,16-bis[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-8,13-dioxahexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24)-decaene
CID 89104727
2-cyclohexa-1,3-dien-1-yl-9,9'-spirobi[fluorene]
CID 142381902
5-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-7,7-dimethylbenzo[c]fluorene
CID 91114293
N-(4-cyclohexa-1,3-dien-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-1-amine
CID 155027615
N-[4-(9,9-dimethyl-3,4-dihydrofluoren-2-yl)phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylaniline
CID 166694657

Frequently Asked Questions

What is the IUPAC name of 8-(10-cyclohexa-1,3-dien-1-yl-4a,9a-dihydroanthracen-9-yl)-2-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-6,6,12,12-tetramethyl-1,9,10,12a-tetrahydroindeno[1,2-b]fluorene?
The IUPAC name of 8-(10-cyclohexa-1,3-dien-1-yl-4a,9a-dihydroanthracen-9-yl)-2-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-6,6,12,12-tetramethyl-1,9,10,12a-tetrahydroindeno[1,2-b]fluorene (CID 90843034) is 8-(10-cyclohexa-1,3-dien-1-yl-4a,9a-dihydroanthracen-9-yl)-2-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-6,6,12,12-tetramethyl-1,9,10,12a-tetrahydroindeno[1,2-b]fluorene.
What is the SMILES notation for 8-(10-cyclohexa-1,3-dien-1-yl-4a,9a-dihydroanthracen-9-yl)-2-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-6,6,12,12-tetramethyl-1,9,10,12a-tetrahydroindeno[1,2-b]fluorene?
The canonical SMILES for 8-(10-cyclohexa-1,3-dien-1-yl-4a,9a-dihydroanthracen-9-yl)-2-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-6,6,12,12-tetramethyl-1,9,10,12a-tetrahydroindeno[1,2-b]fluorene is CC1(C)C2=C(CCC(C3=c4ccccc4=C(C4=CC=CCC4)C4C=CC=CC34)=C2)c2cc3c(cc21)C1=CC=C(c2c4ccccc4c(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4ccccc24)CC1C3(C)C.
What is the InChIKey of 8-(10-cyclohexa-1,3-dien-1-yl-4a,9a-dihydroanthracen-9-yl)-2-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-6,6,12,12-tetramethyl-1,9,10,12a-tetrahydroindeno[1,2-b]fluorene?
The InChIKey is TZRXWYRNZOZWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H62/c1-71(2)61-31-19-18-22-47(61)48-35-32-44(38-62(48)71)69-55-27-14-16-29-57(55)70(58-30-17-15-28-56(58)69)46-34-37-50-60-42-65-59(41-66(60)73(5,6)64(50)40-46)49-36-33-45(39-63(49)72(65,3)4)68-53-25-12-10-23-51(53)67(43-20-8-7-9-21-43)52-24-11-13-26-54(52)68/h7-8,10-20,22-32,34-35,37-39,41-42,51,53,64H,9,21,33,36,40H2,1-6H3.
What are the key properties of 8-(10-cyclohexa-1,3-dien-1-yl-4a,9a-dihydroanthracen-9-yl)-2-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-6,6,12,12-tetramethyl-1,9,10,12a-tetrahydroindeno[1,2-b]fluorene?
8-(10-cyclohexa-1,3-dien-1-yl-4a,9a-dihydroanthracen-9-yl)-2-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-6,6,12,12-tetramethyl-1,9,10,12a-tetrahydroindeno[1,2-b]fluorene has a molecular weight of 939.30 g/mol, XLogP of 17.16, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(10-cyclohexa-1,3-dien-1-yl-4a,9a-dihydroanthracen-9-yl)-2-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-6,6,12,12-tetramethyl-1,9,10,12a-tetrahydroindeno[1,2-b]fluorene is sourced from PubChem (CID 90843034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).