3-methyl-1-(4-phenylphenyl)-2-[(Z)-prop-1-enyl]-5-spiro[1,2,3,4-tetrahydrofluorene-9,9'-5,6,7,8-tetrahydrofluorene]-2'-ylindole

C49H43N — CID 166906394

IUPAC3-methyl-1-(4-phenylphenyl)-2-[(Z)-prop-1-enyl]-5-spiro[1,2,3,4-tetrahydrofluorene-9,9'-5,6,7,8-tetrahydrofluorene]-2'-ylindole
SMILESC/C=C\c1c(C)c2cc(-c3ccc4c(c3)C3(C5=C(CCCC5)c5ccccc53)C3=C4CCCC3)ccc2n1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C49H43N/c1-3-13-47-32(2)42-30-35(25-29-48(42)50(47)37-26-22-34(23-27-37)33-14-5-4-6-15-33)36-24-28-41-40-18-9-12-21-45(40)49(46(41)31-36)43-19-10-7-16-38(43)39-17-8-11-20-44(39)49/h3-7,10,13-16,19,22-31H,8-9,11-12,17-18,20-21H2,1-2H3/b13-3-
InChIKeyKQYYDSQUDPDCBA-DXNYSGJVSA-N
MW645.89 g/mol
LogP13.27
Rot. Bonds4

About 3-methyl-1-(4-phenylphenyl)-2-[(Z)-prop-1-enyl]-5-spiro[1,2,3,4-tetrahydrofluorene-9,9'-5,6,7,8-tetrahydrofluorene]-2'-ylindole

3-methyl-1-(4-phenylphenyl)-2-[(Z)-prop-1-enyl]-5-spiro[1,2,3,4-tetrahydrofluorene-9,9'-5,6,7,8-tetrahydrofluorene]-2'-ylindole (PubChem CID 166906394) has the molecular formula C49H43N and a molecular weight of 645.89 g/mol. Its IUPAC name is 3-methyl-1-(4-phenylphenyl)-2-[(Z)-prop-1-enyl]-5-spiro[1,2,3,4-tetrahydrofluorene-9,9'-5,6,7,8-tetrahydrofluorene]-2'-ylindole.

Molecular Properties

Compound Name3-methyl-1-(4-phenylphenyl)-2-[(Z)-prop-1-enyl]-5-spiro[1,2,3,4-tetrahydrofluorene-9,9'-5,6,7,8-tetrahydrofluorene]-2'-ylindole
PubChem CID166906394
Molecular FormulaC49H43N
Molecular Weight645.89 g/mol
Exact Mass645.34
IUPAC Name3-methyl-1-(4-phenylphenyl)-2-[(Z)-prop-1-enyl]-5-spiro[1,2,3,4-tetrahydrofluorene-9,9'-5,6,7,8-tetrahydrofluorene]-2'-ylindole
SMILESC/C=C\c1c(C)c2cc(-c3ccc4c(c3)C3(C5=C(CCCC5)c5ccccc53)C3=C4CCCC3)ccc2n1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C49H43N/c1-3-13-47-32(2)42-30-35(25-29-48(42)50(47)37-26-22-34(23-27-37)33-14-5-4-6-15-33)36-24-28-41-40-18-9-12-21-45(40)49(46(41)31-36)43-19-10-7-16-38(43)39-17-8-11-20-44(39)49/h3-7,10,13-16,19,22-31H,8-9,11-12,17-18,20-21H2,1-2H3/b13-3-
InChIKeyKQYYDSQUDPDCBA-DXNYSGJVSA-N
XLogP13.27
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500645.89
LogP ≤ 513.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-methyl-1-(4-phenylphenyl)-2-[(Z)-prop-1-enyl]-5-spiro[1,2,3,4-tetrahydrofluorene-9,9'-5,6,7,8-tetrahydrofluorene]-2'-ylindole with MolForge

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Related Compounds

3-methyl-1,5-diphenyl-2-[(Z)-prop-1-enyl]indole
CID 139299207
9,9-dimethyl-N-[4-[3-methyl-1-(4-phenylphenyl)-2-[(Z)-prop-1-enyl]indol-5-yl]phenyl]-N-phenylfluoren-2-amine
CID 139334521
9-phenyl-3-[4-[7'-[4-(9-phenylcarbazol-3-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]carbazole
CID 59236537
3,6-bis[4-[3,6-bis(9,9-diphenylfluoren-2-yl)carbazol-9-yl]phenyl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 59306581
3-[9-(9,9-diphenylfluoren-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 118449222
9-[4-(10-phenylanthracen-9-yl)phenyl]-3-(9-phenylcarbazol-3-yl)-6-(9,9'-spirobi[fluorene]-2-yl)carbazole
CID 59306636
9-[4-[4-[4-[4-[3-[9-(9,9-diphenylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]phenyl]phenyl]phenyl]-3-phenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 134354328
3,6-bis(9,9-diphenylfluoren-2-yl)-9-[4-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]phenyl]carbazole
CID 59306967
3-[4-[(E)-2-[7'-[9,9-diphenyl-7-[(E)-2-[4-(9-phenylcarbazol-3-yl)phenyl]ethenyl]fluoren-2-yl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]phenyl]-9-phenylcarbazole
CID 59236244
3-(9,9-dimethylfluoren-2-yl)-9-(3,5-diphenylphenyl)-6-(9-phenylcarbazol-3-yl)carbazole;9-(3,5-diphenylphenyl)-3-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)carbazole
CID 158206724
9-[4-[7'-(4-carbazol-9-ylphenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]carbazole
CID 59217021
(Z)-2-[3-methyl-1-phenyl-5-[4-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]indol-2-yl]ethenamine
CID 130450015

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(4-phenylphenyl)-2-[(Z)-prop-1-enyl]-5-spiro[1,2,3,4-tetrahydrofluorene-9,9'-5,6,7,8-tetrahydrofluorene]-2'-ylindole?
The IUPAC name of 3-methyl-1-(4-phenylphenyl)-2-[(Z)-prop-1-enyl]-5-spiro[1,2,3,4-tetrahydrofluorene-9,9'-5,6,7,8-tetrahydrofluorene]-2'-ylindole (CID 166906394) is 3-methyl-1-(4-phenylphenyl)-2-[(Z)-prop-1-enyl]-5-spiro[1,2,3,4-tetrahydrofluorene-9,9'-5,6,7,8-tetrahydrofluorene]-2'-ylindole.
What is the SMILES notation for 3-methyl-1-(4-phenylphenyl)-2-[(Z)-prop-1-enyl]-5-spiro[1,2,3,4-tetrahydrofluorene-9,9'-5,6,7,8-tetrahydrofluorene]-2'-ylindole?
The canonical SMILES for 3-methyl-1-(4-phenylphenyl)-2-[(Z)-prop-1-enyl]-5-spiro[1,2,3,4-tetrahydrofluorene-9,9'-5,6,7,8-tetrahydrofluorene]-2'-ylindole is C/C=C\c1c(C)c2cc(-c3ccc4c(c3)C3(C5=C(CCCC5)c5ccccc53)C3=C4CCCC3)ccc2n1-c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 3-methyl-1-(4-phenylphenyl)-2-[(Z)-prop-1-enyl]-5-spiro[1,2,3,4-tetrahydrofluorene-9,9'-5,6,7,8-tetrahydrofluorene]-2'-ylindole?
The InChIKey is KQYYDSQUDPDCBA-DXNYSGJVSA-N. The full InChI is InChI=1S/C49H43N/c1-3-13-47-32(2)42-30-35(25-29-48(42)50(47)37-26-22-34(23-27-37)33-14-5-4-6-15-33)36-24-28-41-40-18-9-12-21-45(40)49(46(41)31-36)43-19-10-7-16-38(43)39-17-8-11-20-44(39)49/h3-7,10,13-16,19,22-31H,8-9,11-12,17-18,20-21H2,1-2H3/b13-3-.
What are the key properties of 3-methyl-1-(4-phenylphenyl)-2-[(Z)-prop-1-enyl]-5-spiro[1,2,3,4-tetrahydrofluorene-9,9'-5,6,7,8-tetrahydrofluorene]-2'-ylindole?
3-methyl-1-(4-phenylphenyl)-2-[(Z)-prop-1-enyl]-5-spiro[1,2,3,4-tetrahydrofluorene-9,9'-5,6,7,8-tetrahydrofluorene]-2'-ylindole has a molecular weight of 645.89 g/mol, XLogP of 13.27, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(4-phenylphenyl)-2-[(Z)-prop-1-enyl]-5-spiro[1,2,3,4-tetrahydrofluorene-9,9'-5,6,7,8-tetrahydrofluorene]-2'-ylindole is sourced from PubChem (CID 166906394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).