9,9-dimethyl-N-[3-[(3Z,5Z)-7-methylidene-12-phenyl-2H-thionino[2,3-b]indol-9-yl]phenyl]-N-(4-phenylphenyl)-4b,8a-dihydrofluoren-2-amine

C54H44N2S — CID 90267790

IUPAC9,9-dimethyl-N-[3-[(3Z,5Z)-7-methylidene-12-phenyl-2H-thionino[2,3-b]indol-9-yl]phenyl]-N-(4-phenylphenyl)-4b,8a-dihydrofluoren-2-amine
SMILESC=C1/C=C\C=C/CSc2c1c1cc(-c3cccc(N(c4ccc(-c5ccccc5)cc4)c4ccc5c(c4)C(C)(C)C4C=CC=CC54)c3)ccc1n2-c1ccccc1
InChIInChI=1S/C54H44N2S/c1-37-16-7-6-14-33-57-53-52(37)48-35-41(27-32-51(48)56(53)42-20-10-5-11-21-42)40-19-15-22-44(34-40)55(43-28-25-39(26-29-43)38-17-8-4-9-18-38)45-30-31-47-46-23-12-13-24-49(46)54(2,3)50(47)36-45/h4-32,34-36,46,49H,1,33H2,2-3H3/b14-6-,16-7-
InChIKeyHNFJBWAIMDLKCE-XQVMPSOSSA-N
MW753.03 g/mol
LogP14.78
Rot. Bonds6

About 9,9-dimethyl-N-[3-[(3Z,5Z)-7-methylidene-12-phenyl-2H-thionino[2,3-b]indol-9-yl]phenyl]-N-(4-phenylphenyl)-4b,8a-dihydrofluoren-2-amine

9,9-dimethyl-N-[3-[(3Z,5Z)-7-methylidene-12-phenyl-2H-thionino[2,3-b]indol-9-yl]phenyl]-N-(4-phenylphenyl)-4b,8a-dihydrofluoren-2-amine (PubChem CID 90267790) has the molecular formula C54H44N2S and a molecular weight of 753.03 g/mol. Its IUPAC name is 9,9-dimethyl-N-[3-[(3Z,5Z)-7-methylidene-12-phenyl-2H-thionino[2,3-b]indol-9-yl]phenyl]-N-(4-phenylphenyl)-4b,8a-dihydrofluoren-2-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-[3-[(3Z,5Z)-7-methylidene-12-phenyl-2H-thionino[2,3-b]indol-9-yl]phenyl]-N-(4-phenylphenyl)-4b,8a-dihydrofluoren-2-amine
PubChem CID90267790
Molecular FormulaC54H44N2S
Molecular Weight753.03 g/mol
Exact Mass752.32
IUPAC Name9,9-dimethyl-N-[3-[(3Z,5Z)-7-methylidene-12-phenyl-2H-thionino[2,3-b]indol-9-yl]phenyl]-N-(4-phenylphenyl)-4b,8a-dihydrofluoren-2-amine
SMILESC=C1/C=C\C=C/CSc2c1c1cc(-c3cccc(N(c4ccc(-c5ccccc5)cc4)c4ccc5c(c4)C(C)(C)C4C=CC=CC54)c3)ccc1n2-c1ccccc1
InChIInChI=1S/C54H44N2S/c1-37-16-7-6-14-33-57-53-52(37)48-35-41(27-32-51(48)56(53)42-20-10-5-11-21-42)40-19-15-22-44(34-40)55(43-28-25-39(26-29-43)38-17-8-4-9-18-38)45-30-31-47-46-23-12-13-24-49(46)54(2,3)50(47)36-45/h4-32,34-36,46,49H,1,33H2,2-3H3/b14-6-,16-7-
InChIKeyHNFJBWAIMDLKCE-XQVMPSOSSA-N
XLogP14.78
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500753.03
LogP ≤ 514.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 9,9-dimethyl-N-[3-[(3Z,5Z)-7-methylidene-12-phenyl-2H-thionino[2,3-b]indol-9-yl]phenyl]-N-(4-phenylphenyl)-4b,8a-dihydrofluoren-2-amine with MolForge

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Related Compounds

9,9-dimethyl-N-(4-methylphenyl)-N-(4-phenylphenyl)-4b,8a-dihydrofluoren-2-amine
CID 145141242
N-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 166820061
4-N-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)-4-N-[9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-yl]-1-N,1-N-diphenylbenzene-1,4-diamine
CID 70917255
1-N-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-3-N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-5-[3-[(2E,4Z)-6-methylidene-1-phenyl-1-benzazocin-3-yl]phenyl]-1-N,3-N-diphenylbenzene-1,3-diamine
CID 129300844
2-N-[4-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)phenyl]-6-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,10-dinaphthalen-2-yl-2-N,6-N-diphenylanthracene-2,6-diamine
CID 89152127
N-[4-[9,9-dimethyl-7-(4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]anilino)fluoren-2-yl]phenyl]-9-phenyl-N-[4-[4-(N-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine
CID 137443923
3-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 161050252
2-N,6-N-bis(4-tert-butylphenyl)-9-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-10-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-2-N,6-N-diphenylanthracene-2,6-diamine
CID 89178676
N-[4-[9-[4-[(3Z,5Z)-7-methylidene-2H-1-benzothionin-9-yl]phenyl]carbazol-3-yl]phenyl]-N,4,6-triphenylpyrimidin-2-amine
CID 90131948
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine;9,9-dimethyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(3-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine;9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]fluoren-2-amine
CID 159095793
1-N,3-N-bis[4-[4-[3,6-bis(4-phenylphenyl)carbazol-9-yl]phenyl]phenyl]-1-N,3-N-diphenylbenzene-1,3-diamine
CID 59816026
N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(3-phenylphenyl)spiro[1,3-dihydroindene-2,9'-fluorene]-2'-amine
CID 162779846

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-[3-[(3Z,5Z)-7-methylidene-12-phenyl-2H-thionino[2,3-b]indol-9-yl]phenyl]-N-(4-phenylphenyl)-4b,8a-dihydrofluoren-2-amine?
The IUPAC name of 9,9-dimethyl-N-[3-[(3Z,5Z)-7-methylidene-12-phenyl-2H-thionino[2,3-b]indol-9-yl]phenyl]-N-(4-phenylphenyl)-4b,8a-dihydrofluoren-2-amine (CID 90267790) is 9,9-dimethyl-N-[3-[(3Z,5Z)-7-methylidene-12-phenyl-2H-thionino[2,3-b]indol-9-yl]phenyl]-N-(4-phenylphenyl)-4b,8a-dihydrofluoren-2-amine.
What is the SMILES notation for 9,9-dimethyl-N-[3-[(3Z,5Z)-7-methylidene-12-phenyl-2H-thionino[2,3-b]indol-9-yl]phenyl]-N-(4-phenylphenyl)-4b,8a-dihydrofluoren-2-amine?
The canonical SMILES for 9,9-dimethyl-N-[3-[(3Z,5Z)-7-methylidene-12-phenyl-2H-thionino[2,3-b]indol-9-yl]phenyl]-N-(4-phenylphenyl)-4b,8a-dihydrofluoren-2-amine is C=C1/C=C\C=C/CSc2c1c1cc(-c3cccc(N(c4ccc(-c5ccccc5)cc4)c4ccc5c(c4)C(C)(C)C4C=CC=CC54)c3)ccc1n2-c1ccccc1.
What is the InChIKey of 9,9-dimethyl-N-[3-[(3Z,5Z)-7-methylidene-12-phenyl-2H-thionino[2,3-b]indol-9-yl]phenyl]-N-(4-phenylphenyl)-4b,8a-dihydrofluoren-2-amine?
The InChIKey is HNFJBWAIMDLKCE-XQVMPSOSSA-N. The full InChI is InChI=1S/C54H44N2S/c1-37-16-7-6-14-33-57-53-52(37)48-35-41(27-32-51(48)56(53)42-20-10-5-11-21-42)40-19-15-22-44(34-40)55(43-28-25-39(26-29-43)38-17-8-4-9-18-38)45-30-31-47-46-23-12-13-24-49(46)54(2,3)50(47)36-45/h4-32,34-36,46,49H,1,33H2,2-3H3/b14-6-,16-7-.
What are the key properties of 9,9-dimethyl-N-[3-[(3Z,5Z)-7-methylidene-12-phenyl-2H-thionino[2,3-b]indol-9-yl]phenyl]-N-(4-phenylphenyl)-4b,8a-dihydrofluoren-2-amine?
9,9-dimethyl-N-[3-[(3Z,5Z)-7-methylidene-12-phenyl-2H-thionino[2,3-b]indol-9-yl]phenyl]-N-(4-phenylphenyl)-4b,8a-dihydrofluoren-2-amine has a molecular weight of 753.03 g/mol, XLogP of 14.78, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-N-[3-[(3Z,5Z)-7-methylidene-12-phenyl-2H-thionino[2,3-b]indol-9-yl]phenyl]-N-(4-phenylphenyl)-4b,8a-dihydrofluoren-2-amine is sourced from PubChem (CID 90267790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).