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

C71H55N — CID 89093963

IUPAC9-(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
SMILESC/C=C/c1ccc(-c2ccc3c(c2)C2(CCc4ccccc42)c2cc(-c4ccc(/C=C/c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7c(c6)C(C)(C)C6C=CC=CC76)cc5)cc4)ccc2-3)cc1
InChIInChI=1S/C71H55N/c1-4-11-46-20-26-50(27-21-46)54-32-36-59-60-37-33-55(44-67(60)71(66(59)43-54)41-40-52-12-5-8-15-63(52)71)51-30-24-48(25-31-51)19-18-47-22-28-49(29-23-47)53-34-39-69-62(42-53)61-14-7-10-17-68(61)72(69)56-35-38-58-57-13-6-9-16-64(57)70(2,3)65(58)45-56/h4-39,42-45,57,64H,40-41H2,1-3H3/b11-4+,19-18+
InChIKeyQGHWHVNICVUXQJ-XTNMVYLFSA-N
MW922.23 g/mol
LogP18.37
Rot. Bonds7

About 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

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 (PubChem CID 89093963) has the molecular formula C71H55N and a molecular weight of 922.23 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9-(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
PubChem CID89093963
Molecular FormulaC71H55N
Molecular Weight922.23 g/mol
Exact Mass921.43
IUPAC Name9-(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
SMILESC/C=C/c1ccc(-c2ccc3c(c2)C2(CCc4ccccc42)c2cc(-c4ccc(/C=C/c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7c(c6)C(C)(C)C6C=CC=CC76)cc5)cc4)ccc2-3)cc1
InChIInChI=1S/C71H55N/c1-4-11-46-20-26-50(27-21-46)54-32-36-59-60-37-33-55(44-67(60)71(66(59)43-54)41-40-52-12-5-8-15-63(52)71)51-30-24-48(25-31-51)19-18-47-22-28-49(29-23-47)53-34-39-69-62(42-53)61-14-7-10-17-68(61)72(69)56-35-38-58-57-13-6-9-16-64(57)70(2,3)65(58)45-56/h4-39,42-45,57,64H,40-41H2,1-3H3/b11-4+,19-18+
InChIKeyQGHWHVNICVUXQJ-XTNMVYLFSA-N
XLogP18.37
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500922.23
LogP ≤ 518.37
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-[4-[(E)-2-[4-[7'-[4-[(E)-prop-1-enyl]phenyl]spiro[1,2-dihydroindene-3,9'-fluorene]-2'-yl]phenyl]ethenyl]phenyl]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-[(E)-2-[4-[7'-(7'-methylspiro[cyclopentane-1,9'-fluorene]-2'-yl)spiro[cyclopentane-1,9'-fluorene]-2'-yl]phenyl]ethenyl]carbazole
CID 89093907
9-naphthalen-2-yl-3-[4-[(E)-2-[4-[7'-[4-[(E)-2-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]ethenyl]phenyl]spiro[1,2-dihydrocyclopenta[b]naphthalene-3,9'-fluorene]-2'-yl]phenyl]ethenyl]phenyl]carbazole
CID 59236126
9-naphthalen-1-yl-3-[4-[(E)-2-[4-[7'-[4-[(E)-2-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]ethenyl]phenyl]spiro[1,2-dihydrocyclopenta[b]naphthalene-3,9'-fluorene]-2'-yl]phenyl]ethenyl]phenyl]carbazole
CID 59236116
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-[4-[7'-[4-(9-phenylcarbazol-3-yl)phenyl]spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]phenyl]carbazole
CID 58987327
9-naphthalen-2-yl-3-[4-[(E)-2-[6,6,12,12-tetramethyl-2-[(E)-2-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]ethenyl]indeno[1,2-b]fluoren-8-yl]ethenyl]phenyl]carbazole
CID 59236365
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
2-[3-(3-bromophenyl)phenyl]-9-spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-2'-ylcarbazole
CID 144639698
3-[4-[(E)-2-[4-[9,9-diphenyl-7-[4-[(E)-2-[4-(9-phenylcarbazol-3-yl)phenyl]ethenyl]phenyl]fluoren-2-yl]phenyl]ethenyl]phenyl]-9-phenylcarbazole
CID 59236586
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-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 163801693

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C/C=C/c1ccc(-c2ccc3c(c2)C2(CCc4ccccc42)c2cc(-c4ccc(/C=C/c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7c(c6)C(C)(C)C6C=CC=CC76)cc5)cc4)ccc2-3)cc1.
What is the InChIKey of 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?
The InChIKey is QGHWHVNICVUXQJ-XTNMVYLFSA-N. The full InChI is InChI=1S/C71H55N/c1-4-11-46-20-26-50(27-21-46)54-32-36-59-60-37-33-55(44-67(60)71(66(59)43-54)41-40-52-12-5-8-15-63(52)71)51-30-24-48(25-31-51)19-18-47-22-28-49(29-23-47)53-34-39-69-62(42-53)61-14-7-10-17-68(61)72(69)56-35-38-58-57-13-6-9-16-64(57)70(2,3)65(58)45-56/h4-39,42-45,57,64H,40-41H2,1-3H3/b11-4+,19-18+.
What are the key properties of 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?
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 has a molecular weight of 922.23 g/mol, XLogP of 18.37, 7 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-[4-[(E)-2-[4-[7'-[4-[(E)-prop-1-enyl]phenyl]spiro[1,2-dihydroindene-3,9'-fluorene]-2'-yl]phenyl]ethenyl]phenyl]carbazole is sourced from PubChem (CID 89093963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).