9-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-3-[(E)-2-[4-[7'-(7'-methylspiro[cyclopentane-1,9'-fluorene]-2'-yl)spiro[cyclopentane-1,9'-fluorene]-2'-yl]phenyl]ethenyl]carbazole

C70H59N — CID 89093907

IUPAC9-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-3-[(E)-2-[4-[7'-(7'-methylspiro[cyclopentane-1,9'-fluorene]-2'-yl)spiro[cyclopentane-1,9'-fluorene]-2'-yl]phenyl]ethenyl]carbazole
SMILESCc1ccc2c(c1)C1(CCCC1)c1cc(-c3ccc4c(c3)C3(CCCC3)c3cc(-c5ccc(/C=C/c6ccc7c(c6)c6ccccc6n7-c6ccc7c(c6)C(C)(C)C6C=CC=CC76)cc5)ccc3-4)ccc1-2
InChIInChI=1S/C70H59N/c1-44-16-28-54-55-30-25-49(41-64(55)69(62(54)38-44)34-8-9-35-69)50-26-31-57-56-29-24-48(40-63(56)70(65(57)42-50)36-10-11-37-70)47-22-19-45(20-23-47)17-18-46-21-33-67-59(39-46)58-13-5-7-15-66(58)71(67)51-27-32-53-52-12-4-6-14-60(52)68(2,3)61(53)43-51/h4-7,12-33,38-43,52,60H,8-11,34-37H2,1-3H3/b18-17+
InChIKeyPKZQQOMWTNMZDH-ISLYRVAYSA-N
MW914.25 g/mol
LogP18.39
Rot. Bonds5

About 9-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-3-[(E)-2-[4-[7'-(7'-methylspiro[cyclopentane-1,9'-fluorene]-2'-yl)spiro[cyclopentane-1,9'-fluorene]-2'-yl]phenyl]ethenyl]carbazole

9-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-3-[(E)-2-[4-[7'-(7'-methylspiro[cyclopentane-1,9'-fluorene]-2'-yl)spiro[cyclopentane-1,9'-fluorene]-2'-yl]phenyl]ethenyl]carbazole (PubChem CID 89093907) has the molecular formula C70H59N and a molecular weight of 914.25 g/mol. Its IUPAC name is 9-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-3-[(E)-2-[4-[7'-(7'-methylspiro[cyclopentane-1,9'-fluorene]-2'-yl)spiro[cyclopentane-1,9'-fluorene]-2'-yl]phenyl]ethenyl]carbazole.

Molecular Properties

Compound Name9-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-3-[(E)-2-[4-[7'-(7'-methylspiro[cyclopentane-1,9'-fluorene]-2'-yl)spiro[cyclopentane-1,9'-fluorene]-2'-yl]phenyl]ethenyl]carbazole
PubChem CID89093907
Molecular FormulaC70H59N
Molecular Weight914.25 g/mol
Exact Mass913.46
IUPAC Name9-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-3-[(E)-2-[4-[7'-(7'-methylspiro[cyclopentane-1,9'-fluorene]-2'-yl)spiro[cyclopentane-1,9'-fluorene]-2'-yl]phenyl]ethenyl]carbazole
SMILESCc1ccc2c(c1)C1(CCCC1)c1cc(-c3ccc4c(c3)C3(CCCC3)c3cc(-c5ccc(/C=C/c6ccc7c(c6)c6ccccc6n7-c6ccc7c(c6)C(C)(C)C6C=CC=CC76)cc5)ccc3-4)ccc1-2
InChIInChI=1S/C70H59N/c1-44-16-28-54-55-30-25-49(41-64(55)69(62(54)38-44)34-8-9-35-69)50-26-31-57-56-29-24-48(40-63(56)70(65(57)42-50)36-10-11-37-70)47-22-19-45(20-23-47)17-18-46-21-33-67-59(39-46)58-13-5-7-15-66(58)71(67)51-27-32-53-52-12-4-6-14-60(52)68(2,3)61(53)43-51/h4-7,12-33,38-43,52,60H,8-11,34-37H2,1-3H3/b18-17+
InChIKeyPKZQQOMWTNMZDH-ISLYRVAYSA-N
XLogP18.39
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500914.25
LogP ≤ 518.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 9-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-3-[(E)-2-[4-[7'-(7'-methylspiro[cyclopentane-1,9'-fluorene]-2'-yl)spiro[cyclopentane-1,9'-fluorene]-2'-yl]phenyl]ethenyl]carbazole with MolForge

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Related Compounds

3-[(E)-2-[4-[7'-[4-[(E)-2-[9-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)carbazol-3-yl]ethenyl]phenyl]spiro[1,2-dihydroindene-3,9'-fluorene]-2'-yl]phenyl]ethenyl]-9-(9,9-dimethylfluoren-2-yl)carbazole
CID 89093973
9-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-3-[4-[(E)-2-[4-[7'-[4-[(E)-prop-1-enyl]phenyl]spiro[1,2-dihydroindene-3,9'-fluorene]-2'-yl]phenyl]ethenyl]phenyl]carbazole
CID 89093963
9-(3,5-dimethylphenyl)-3-[4-[(E)-2-[7'-[(E)-2-[4-[9-(3,5-dimethylphenyl)carbazol-3-yl]phenyl]ethenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]ethenyl]phenyl]carbazole
CID 59236609
9-naphthalen-2-yl-3-[4-[7'-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]phenyl]carbazole
CID 59236268
9-naphthalen-1-yl-3-[(E)-2-[7'-[7'-[(E)-2-(9-naphthalen-1-ylcarbazol-3-yl)ethenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]ethenyl]carbazole
CID 59236473
3-[(E)-2-[4-[7-[9,9-dimethyl-7-[4-[(E)-2-(9-phenylcarbazol-3-yl)ethenyl]phenyl]fluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]ethenyl]-9-phenylcarbazole
CID 59236662
9-phenyl-3-[(E)-2-[4-[6,6,12,12-tetramethyl-2-[4-[(E)-2-(9-phenylcarbazol-3-yl)ethenyl]phenyl]indeno[1,2-b]fluoren-8-yl]phenyl]ethenyl]carbazole
CID 59236371
3-[4-[(E)-2-[4-(3-carbazol-9-ylphenyl)phenyl]ethenyl]phenyl]-9-(4-methylphenyl)carbazole
CID 59383633
9-naphthalen-2-yl-3-[(E)-2-[4-[7'-[4-[(E)-2-(9-naphthalen-2-ylcarbazol-3-yl)ethenyl]phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]ethenyl]carbazole
CID 59236656
3,6-dimethyl-9-[4-[4-[(E)-2-[4-[9-(4-methylphenyl)carbazol-3-yl]phenyl]ethenyl]phenyl]phenyl]carbazole
CID 59383733
3-[4-[(E)-2-[7-[9-(3,5-dimethylphenyl)carbazol-3-yl]-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]-9-phenylcarbazole
CID 59236659
9'-(9-phenylcarbazol-2-yl)-5'-(3-phenylphenyl)spiro[cyclohexane-1,11'-indeno[1,2-b]carbazole]
CID 146757100

Frequently Asked Questions

What is the IUPAC name of 9-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-3-[(E)-2-[4-[7'-(7'-methylspiro[cyclopentane-1,9'-fluorene]-2'-yl)spiro[cyclopentane-1,9'-fluorene]-2'-yl]phenyl]ethenyl]carbazole?
The IUPAC name of 9-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-3-[(E)-2-[4-[7'-(7'-methylspiro[cyclopentane-1,9'-fluorene]-2'-yl)spiro[cyclopentane-1,9'-fluorene]-2'-yl]phenyl]ethenyl]carbazole (CID 89093907) is 9-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-3-[(E)-2-[4-[7'-(7'-methylspiro[cyclopentane-1,9'-fluorene]-2'-yl)spiro[cyclopentane-1,9'-fluorene]-2'-yl]phenyl]ethenyl]carbazole.
What is the SMILES notation for 9-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-3-[(E)-2-[4-[7'-(7'-methylspiro[cyclopentane-1,9'-fluorene]-2'-yl)spiro[cyclopentane-1,9'-fluorene]-2'-yl]phenyl]ethenyl]carbazole?
The canonical SMILES for 9-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-3-[(E)-2-[4-[7'-(7'-methylspiro[cyclopentane-1,9'-fluorene]-2'-yl)spiro[cyclopentane-1,9'-fluorene]-2'-yl]phenyl]ethenyl]carbazole is Cc1ccc2c(c1)C1(CCCC1)c1cc(-c3ccc4c(c3)C3(CCCC3)c3cc(-c5ccc(/C=C/c6ccc7c(c6)c6ccccc6n7-c6ccc7c(c6)C(C)(C)C6C=CC=CC76)cc5)ccc3-4)ccc1-2.
What is the InChIKey of 9-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-3-[(E)-2-[4-[7'-(7'-methylspiro[cyclopentane-1,9'-fluorene]-2'-yl)spiro[cyclopentane-1,9'-fluorene]-2'-yl]phenyl]ethenyl]carbazole?
The InChIKey is PKZQQOMWTNMZDH-ISLYRVAYSA-N. The full InChI is InChI=1S/C70H59N/c1-44-16-28-54-55-30-25-49(41-64(55)69(62(54)38-44)34-8-9-35-69)50-26-31-57-56-29-24-48(40-63(56)70(65(57)42-50)36-10-11-37-70)47-22-19-45(20-23-47)17-18-46-21-33-67-59(39-46)58-13-5-7-15-66(58)71(67)51-27-32-53-52-12-4-6-14-60(52)68(2,3)61(53)43-51/h4-7,12-33,38-43,52,60H,8-11,34-37H2,1-3H3/b18-17+.
What are the key properties of 9-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-3-[(E)-2-[4-[7'-(7'-methylspiro[cyclopentane-1,9'-fluorene]-2'-yl)spiro[cyclopentane-1,9'-fluorene]-2'-yl]phenyl]ethenyl]carbazole?
9-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-3-[(E)-2-[4-[7'-(7'-methylspiro[cyclopentane-1,9'-fluorene]-2'-yl)spiro[cyclopentane-1,9'-fluorene]-2'-yl]phenyl]ethenyl]carbazole has a molecular weight of 914.25 g/mol, XLogP of 18.39, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-3-[(E)-2-[4-[7'-(7'-methylspiro[cyclopentane-1,9'-fluorene]-2'-yl)spiro[cyclopentane-1,9'-fluorene]-2'-yl]phenyl]ethenyl]carbazole is sourced from PubChem (CID 89093907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).