9-cyclohexa-2,4-dien-1-yl-N,9-diphenyl-N-[3-(2-phenyl-21-thia-2-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(23),3,5,7,9,11,13(24),14(22),15(20),16,18-undecaen-17-yl)phenyl]fluoren-3-amine

C65H44N2S — CID 145313382

IUPAC9-cyclohexa-2,4-dien-1-yl-N,9-diphenyl-N-[3-(2-phenyl-21-thia-2-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(23),3,5,7,9,11,13(24),14(22),15(20),16,18-undecaen-17-yl)phenyl]fluoren-3-amine
SMILESC1=CCC(C2(c3ccccc3)c3ccccc3-c3cc(N(c4ccccc4)c4cccc(-c5ccc6sc7cc8c9c(cccc9c7c6c5)-c5ccccc5N8c5ccccc5)c4)ccc32)C=C1
InChIInChI=1S/C65H44N2S/c1-5-20-45(21-6-1)65(46-22-7-2-8-23-46)57-33-15-13-29-51(57)55-41-50(36-37-58(55)65)66(47-24-9-3-10-25-47)49-28-17-19-43(39-49)44-35-38-61-56(40-44)64-54-32-18-31-53-52-30-14-16-34-59(52)67(48-26-11-4-12-27-48)60(63(53)54)42-62(64)68-61/h1-22,24-42,46H,23H2
InChIKeyCECYSUUGGONMAL-UHFFFAOYSA-N
MW885.15 g/mol
LogP18.24
Rot. Bonds7

About 9-cyclohexa-2,4-dien-1-yl-N,9-diphenyl-N-[3-(2-phenyl-21-thia-2-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(23),3,5,7,9,11,13(24),14(22),15(20),16,18-undecaen-17-yl)phenyl]fluoren-3-amine

9-cyclohexa-2,4-dien-1-yl-N,9-diphenyl-N-[3-(2-phenyl-21-thia-2-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(23),3,5,7,9,11,13(24),14(22),15(20),16,18-undecaen-17-yl)phenyl]fluoren-3-amine (PubChem CID 145313382) has the molecular formula C65H44N2S and a molecular weight of 885.15 g/mol. Its IUPAC name is 9-cyclohexa-2,4-dien-1-yl-N,9-diphenyl-N-[3-(2-phenyl-21-thia-2-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(23),3,5,7,9,11,13(24),14(22),15(20),16,18-undecaen-17-yl)phenyl]fluoren-3-amine.

Molecular Properties

Compound Name9-cyclohexa-2,4-dien-1-yl-N,9-diphenyl-N-[3-(2-phenyl-21-thia-2-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(23),3,5,7,9,11,13(24),14(22),15(20),16,18-undecaen-17-yl)phenyl]fluoren-3-amine
PubChem CID145313382
Molecular FormulaC65H44N2S
Molecular Weight885.15 g/mol
Exact Mass884.32
IUPAC Name9-cyclohexa-2,4-dien-1-yl-N,9-diphenyl-N-[3-(2-phenyl-21-thia-2-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(23),3,5,7,9,11,13(24),14(22),15(20),16,18-undecaen-17-yl)phenyl]fluoren-3-amine
SMILESC1=CCC(C2(c3ccccc3)c3ccccc3-c3cc(N(c4ccccc4)c4cccc(-c5ccc6sc7cc8c9c(cccc9c7c6c5)-c5ccccc5N8c5ccccc5)c4)ccc32)C=C1
InChIInChI=1S/C65H44N2S/c1-5-20-45(21-6-1)65(46-22-7-2-8-23-46)57-33-15-13-29-51(57)55-41-50(36-37-58(55)65)66(47-24-9-3-10-25-47)49-28-17-19-43(39-49)44-35-38-61-56(40-44)64-54-32-18-31-53-52-30-14-16-34-59(52)67(48-26-11-4-12-27-48)60(63(53)54)42-62(64)68-61/h1-22,24-42,46H,23H2
InChIKeyCECYSUUGGONMAL-UHFFFAOYSA-N
XLogP18.24
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500885.15
LogP ≤ 518.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 9-cyclohexa-2,4-dien-1-yl-N,9-diphenyl-N-[3-(2-phenyl-21-thia-2-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(23),3,5,7,9,11,13(24),14(22),15(20),16,18-undecaen-17-yl)phenyl]fluoren-3-amine with MolForge

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Related Compounds

N-(3-dibenzothiophen-2-ylphenyl)-10-phenyl-N-(4-phenylphenyl)spiro[acridine-9,9'-fluorene]-2'-amine
CID 155240364
9-cyclohexa-2,4-dien-1-yl-N-[2-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]phenyl]-N,9-diphenylfluoren-2-amine
CID 118462727
N-(3-dibenzothiophen-2-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-9,9'-spirobi[fluorene]-3-amine
CID 121381508
4-benzyl-3-(2-benzylphenyl)-N-[4-(9-cyclohexa-2,4-dien-1-ylfluoren-9-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 144995098
N-[4-(11-cyclohexa-2,4-dien-1-yl-11-phenylbenzo[a]fluoren-6-yl)naphthalen-1-yl]-N-phenyldibenzothiophen-3-amine
CID 170413033
N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-10-phenylspiro[acridine-9,9'-fluorene]-2'-amine
CID 155240522
9-cyclohexa-2,4-dien-1-yl-N-[3-[5-methyl-4-[2-[(Z)-2-phenylethenyl]phenyl]cyclohexa-1,5-dien-1-yl]phenyl]-9-phenyl-N-(4-phenylphenyl)fluoren-3-amine
CID 144810452
N,14-diphenyl-N-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-3-yl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-amine;14-phenyl-N-(4-phenylphenyl)-N-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-3-yl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-amine
CID 159691989
9-cyclohexa-2,4-dien-1-yl-N-[4-(7-methyl-9-phenyl-4b,7,8,8a-tetrahydrocarbazol-3-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 166777833
N-(3-dibenzothiophen-4-ylphenyl)-N-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-3-amine
CID 121425102
N-[4-(9-cyclohexa-2,4-dien-1-yl-9-phenylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(1-phenylnaphthalen-2-yl)fluoren-2-amine
CID 156558180
N-(4-dibenzothiophen-3-ylphenyl)-N-[3-[4-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-3-phenylaniline
CID 168839988

Frequently Asked Questions

What is the IUPAC name of 9-cyclohexa-2,4-dien-1-yl-N,9-diphenyl-N-[3-(2-phenyl-21-thia-2-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(23),3,5,7,9,11,13(24),14(22),15(20),16,18-undecaen-17-yl)phenyl]fluoren-3-amine?
The IUPAC name of 9-cyclohexa-2,4-dien-1-yl-N,9-diphenyl-N-[3-(2-phenyl-21-thia-2-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(23),3,5,7,9,11,13(24),14(22),15(20),16,18-undecaen-17-yl)phenyl]fluoren-3-amine (CID 145313382) is 9-cyclohexa-2,4-dien-1-yl-N,9-diphenyl-N-[3-(2-phenyl-21-thia-2-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(23),3,5,7,9,11,13(24),14(22),15(20),16,18-undecaen-17-yl)phenyl]fluoren-3-amine.
What is the SMILES notation for 9-cyclohexa-2,4-dien-1-yl-N,9-diphenyl-N-[3-(2-phenyl-21-thia-2-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(23),3,5,7,9,11,13(24),14(22),15(20),16,18-undecaen-17-yl)phenyl]fluoren-3-amine?
The canonical SMILES for 9-cyclohexa-2,4-dien-1-yl-N,9-diphenyl-N-[3-(2-phenyl-21-thia-2-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(23),3,5,7,9,11,13(24),14(22),15(20),16,18-undecaen-17-yl)phenyl]fluoren-3-amine is C1=CCC(C2(c3ccccc3)c3ccccc3-c3cc(N(c4ccccc4)c4cccc(-c5ccc6sc7cc8c9c(cccc9c7c6c5)-c5ccccc5N8c5ccccc5)c4)ccc32)C=C1.
What is the InChIKey of 9-cyclohexa-2,4-dien-1-yl-N,9-diphenyl-N-[3-(2-phenyl-21-thia-2-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(23),3,5,7,9,11,13(24),14(22),15(20),16,18-undecaen-17-yl)phenyl]fluoren-3-amine?
The InChIKey is CECYSUUGGONMAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H44N2S/c1-5-20-45(21-6-1)65(46-22-7-2-8-23-46)57-33-15-13-29-51(57)55-41-50(36-37-58(55)65)66(47-24-9-3-10-25-47)49-28-17-19-43(39-49)44-35-38-61-56(40-44)64-54-32-18-31-53-52-30-14-16-34-59(52)67(48-26-11-4-12-27-48)60(63(53)54)42-62(64)68-61/h1-22,24-42,46H,23H2.
What are the key properties of 9-cyclohexa-2,4-dien-1-yl-N,9-diphenyl-N-[3-(2-phenyl-21-thia-2-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(23),3,5,7,9,11,13(24),14(22),15(20),16,18-undecaen-17-yl)phenyl]fluoren-3-amine?
9-cyclohexa-2,4-dien-1-yl-N,9-diphenyl-N-[3-(2-phenyl-21-thia-2-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(23),3,5,7,9,11,13(24),14(22),15(20),16,18-undecaen-17-yl)phenyl]fluoren-3-amine has a molecular weight of 885.15 g/mol, XLogP of 18.24, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclohexa-2,4-dien-1-yl-N,9-diphenyl-N-[3-(2-phenyl-21-thia-2-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(23),3,5,7,9,11,13(24),14(22),15(20),16,18-undecaen-17-yl)phenyl]fluoren-3-amine is sourced from PubChem (CID 145313382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).