20-(9,9-dimethylfluoren-2-yl)-24-naphthalen-1-yl-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene

C47H31NS — CID 129038129

IUPAC20-(9,9-dimethylfluoren-2-yl)-24-naphthalen-1-yl-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)c3c5ccccc5c5c6ccccc6sc5c3n4-c3cccc4ccccc34)cc21
InChIInChI=1S/C47H31NS/c1-47(2)38-19-9-7-15-32(38)33-24-22-30(27-39(33)47)29-23-25-41-37(26-29)43-34-16-5-6-17-35(34)44-36-18-8-10-21-42(36)49-46(44)45(43)48(41)40-20-11-13-28-12-3-4-14-31(28)40/h3-27H,1-2H3
InChIKeyYOGGTCHEHRHKLR-UHFFFAOYSA-N
MW641.84 g/mol
LogP13.43
Rot. Bonds2

About 20-(9,9-dimethylfluoren-2-yl)-24-naphthalen-1-yl-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene

20-(9,9-dimethylfluoren-2-yl)-24-naphthalen-1-yl-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene (PubChem CID 129038129) has the molecular formula C47H31NS and a molecular weight of 641.84 g/mol. Its IUPAC name is 20-(9,9-dimethylfluoren-2-yl)-24-naphthalen-1-yl-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene.

Molecular Properties

Compound Name20-(9,9-dimethylfluoren-2-yl)-24-naphthalen-1-yl-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene
PubChem CID129038129
Molecular FormulaC47H31NS
Molecular Weight641.84 g/mol
Exact Mass641.22
IUPAC Name20-(9,9-dimethylfluoren-2-yl)-24-naphthalen-1-yl-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)c3c5ccccc5c5c6ccccc6sc5c3n4-c3cccc4ccccc34)cc21
InChIInChI=1S/C47H31NS/c1-47(2)38-19-9-7-15-32(38)33-24-22-30(27-39(33)47)29-23-25-41-37(26-29)43-34-16-5-6-17-35(34)44-36-18-8-10-21-42(36)49-46(44)45(43)48(41)40-20-11-13-28-12-3-4-14-31(28)40/h3-27H,1-2H3
InChIKeyYOGGTCHEHRHKLR-UHFFFAOYSA-N
XLogP13.43
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500641.84
LogP ≤ 513.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 20-(9,9-dimethylfluoren-2-yl)-24-naphthalen-1-yl-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene with MolForge

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Related Compounds

24-[1-(9,9-dimethylfluoren-2-yl)benzo[f]quinazolin-3-yl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
CID 122605149
24-naphthalen-1-yl-20-[4-[4-(24-naphthalen-1-yl-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaen-20-yl)naphthalen-1-yl]naphthalen-1-yl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene;24-naphthalen-2-yl-20-[4-[4-(24-naphthalen-2-yl-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaen-20-yl)naphthalen-1-yl]naphthalen-1-yl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene
CID 158769929
3-[7-[9,9-dimethyl-7-(9-naphthalen-1-ylcarbazol-3-yl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9-naphthalen-1-ylcarbazole
CID 59236166
N-(9,9-dimethylfluoren-2-yl)-N-phenyl-24-(4-phenylphenyl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaen-20-amine
CID 129038207
3-(9,9-dimethylfluoren-2-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-naphthalen-1-ylcarbazole
CID 145327636
24-[7-[1-(9,9-dimethylfluoren-2-yl)benzo[f]quinazolin-3-yl]-9,9-dimethylfluoren-2-yl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
CID 122605144
9,9-dimethyl-N-[3-(12-naphthalen-1-yl-[1]benzothiolo[3,2-a]carbazol-6-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;3-(12-naphthalen-1-yl-[1]benzothiolo[3,2-a]carbazol-6-yl)-N,N-bis(4-phenylphenyl)aniline
CID 159416339
12-[4-(9,9-dimethylfluoren-2-yl)phenyl]-[1]benzothiolo[3,2-a]carbazole;12-naphthalen-1-yl-[1]benzothiolo[3,2-a]carbazole;12-naphthalen-2-yl-[1]benzothiolo[3,2-a]carbazole;12-(4-phenylphenyl)-[1]benzothiolo[3,2-a]carbazole
CID 157483474
3-[4-[9,9-dimethyl-7-[4-(9-naphthalen-1-ylcarbazol-3-yl)naphthalen-1-yl]fluoren-2-yl]naphthalen-1-yl]-9-naphthalen-1-ylcarbazole
CID 59236729
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(4-methylphenyl)-7-(9-naphthalen-1-ylcarbazol-3-yl)fluoren-2-amine
CID 59171796
25-[9-(4-carbazol-9-ylphenyl)carbazol-3-yl]-9,9-dimethyl-21-phenyl-18-thia-21-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22(27),23,25-dodecaene
CID 118634488
20-carbazol-9-yl-24-naphthalen-2-yl-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene;N-(9,9-dimethylfluoren-2-yl)-N,24-dinaphthalen-2-yl-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaen-20-amine;N,N-diphenyl-24-(4-phenylphenyl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaen-20-amine;24-naphthalen-2-yl-N,N-bis(4-phenylphenyl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaen-20-amine
CID 158204100

Frequently Asked Questions

What is the IUPAC name of 20-(9,9-dimethylfluoren-2-yl)-24-naphthalen-1-yl-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene?
The IUPAC name of 20-(9,9-dimethylfluoren-2-yl)-24-naphthalen-1-yl-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene (CID 129038129) is 20-(9,9-dimethylfluoren-2-yl)-24-naphthalen-1-yl-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene.
What is the SMILES notation for 20-(9,9-dimethylfluoren-2-yl)-24-naphthalen-1-yl-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene?
The canonical SMILES for 20-(9,9-dimethylfluoren-2-yl)-24-naphthalen-1-yl-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene is CC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)c3c5ccccc5c5c6ccccc6sc5c3n4-c3cccc4ccccc34)cc21.
What is the InChIKey of 20-(9,9-dimethylfluoren-2-yl)-24-naphthalen-1-yl-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene?
The InChIKey is YOGGTCHEHRHKLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H31NS/c1-47(2)38-19-9-7-15-32(38)33-24-22-30(27-39(33)47)29-23-25-41-37(26-29)43-34-16-5-6-17-35(34)44-36-18-8-10-21-42(36)49-46(44)45(43)48(41)40-20-11-13-28-12-3-4-14-31(28)40/h3-27H,1-2H3.
What are the key properties of 20-(9,9-dimethylfluoren-2-yl)-24-naphthalen-1-yl-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene?
20-(9,9-dimethylfluoren-2-yl)-24-naphthalen-1-yl-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene has a molecular weight of 641.84 g/mol, XLogP of 13.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 20-(9,9-dimethylfluoren-2-yl)-24-naphthalen-1-yl-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene is sourced from PubChem (CID 129038129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).