N-[4-(17,17-dimethyl-9-thiaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-14-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine

C52H37NS — CID 165017897

IUPACN-[4-(17,17-dimethyl-9-thiaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-14-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(-c4cc5c6c7c4ccc4sc8cccc(c8c47)-c4cccc(c4-6)C5(C)C)cc3)cc21
InChIInChI=1S/C52H37NS/c1-51(2)40-17-9-8-14-34(40)35-25-24-33(28-42(35)51)53(31-12-6-5-7-13-31)32-22-20-30(21-23-32)39-29-43-49-46-36(15-10-18-41(46)52(43,3)4)37-16-11-19-44-47(37)50-45(54-44)27-26-38(39)48(49)50/h5-29H,1-4H3
InChIKeyNXOQBDFDFTUCJL-UHFFFAOYSA-N
MW707.94 g/mol
LogP14.94
Rot. Bonds4

About N-[4-(17,17-dimethyl-9-thiaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-14-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine

N-[4-(17,17-dimethyl-9-thiaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-14-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine (PubChem CID 165017897) has the molecular formula C52H37NS and a molecular weight of 707.94 g/mol. Its IUPAC name is N-[4-(17,17-dimethyl-9-thiaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-14-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine.

Molecular Properties

Compound NameN-[4-(17,17-dimethyl-9-thiaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-14-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
PubChem CID165017897
Molecular FormulaC52H37NS
Molecular Weight707.94 g/mol
Exact Mass707.26
IUPAC NameN-[4-(17,17-dimethyl-9-thiaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-14-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(-c4cc5c6c7c4ccc4sc8cccc(c8c47)-c4cccc(c4-6)C5(C)C)cc3)cc21
InChIInChI=1S/C52H37NS/c1-51(2)40-17-9-8-14-34(40)35-25-24-33(28-42(35)51)53(31-12-6-5-7-13-31)32-22-20-30(21-23-32)39-29-43-49-46-36(15-10-18-41(46)52(43,3)4)37-16-11-19-44-47(37)50-45(54-44)27-26-38(39)48(49)50/h5-29H,1-4H3
InChIKeyNXOQBDFDFTUCJL-UHFFFAOYSA-N
XLogP14.94
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500707.94
LogP ≤ 514.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[4-(17,17-dimethyl-9-thiaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-14-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine with MolForge

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Related Compounds

N-[4-(17,17-dimethyl-9-thiaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-14-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;N-[3-(9,17-dithiaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-12-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-3-amine
CID 165017896
N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 118146460
N-(4-dibenzothiophen-1-ylphenyl)-N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine
CID 170217420
N-(9,9-dimethylfluoren-2-yl)-14,14-dimethyl-N-(3-phenylphenyl)-9-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-amine
CID 157396609
N-[4-[2,5-diphenyl-4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 176611399
N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N,12-diphenylfluoreno[2,3-b][1]benzothiol-3-amine
CID 171401883
N-(9,9-dimethyl-5-phenylfluoren-2-yl)-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-2-amine
CID 155153832
N-[4-[2-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 121298487
14,14-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-phenyl-9-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-amine
CID 157246234
N-(2-dibenzothiophen-1-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 176583255
N-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 121323471
N-(2-dibenzothiophen-1-ylphenyl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 176583414

Frequently Asked Questions

What is the IUPAC name of N-[4-(17,17-dimethyl-9-thiaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-14-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine?
The IUPAC name of N-[4-(17,17-dimethyl-9-thiaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-14-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine (CID 165017897) is N-[4-(17,17-dimethyl-9-thiaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-14-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine.
What is the SMILES notation for N-[4-(17,17-dimethyl-9-thiaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-14-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine?
The canonical SMILES for N-[4-(17,17-dimethyl-9-thiaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-14-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(-c4cc5c6c7c4ccc4sc8cccc(c8c47)-c4cccc(c4-6)C5(C)C)cc3)cc21.
What is the InChIKey of N-[4-(17,17-dimethyl-9-thiaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-14-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine?
The InChIKey is NXOQBDFDFTUCJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H37NS/c1-51(2)40-17-9-8-14-34(40)35-25-24-33(28-42(35)51)53(31-12-6-5-7-13-31)32-22-20-30(21-23-32)39-29-43-49-46-36(15-10-18-41(46)52(43,3)4)37-16-11-19-44-47(37)50-45(54-44)27-26-38(39)48(49)50/h5-29H,1-4H3.
What are the key properties of N-[4-(17,17-dimethyl-9-thiaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-14-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine?
N-[4-(17,17-dimethyl-9-thiaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-14-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine has a molecular weight of 707.94 g/mol, XLogP of 14.94, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(17,17-dimethyl-9-thiaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-14-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine is sourced from PubChem (CID 165017897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).