9,9-dimethyl-N-(3-phenylphenyl)-N-[4-(10-phenyl-24-thiahexacyclo[12.11.0.03,12.04,9.017,25.018,23]pentacosa-1,3(12),4(9),5,7,13,15,17(25),18,20,22-undecaen-6-yl)phenyl]fluoren-2-amine

C63H45NS — CID 126718119

IUPAC9,9-dimethyl-N-(3-phenylphenyl)-N-[4-(10-phenyl-24-thiahexacyclo[12.11.0.03,12.04,9.017,25.018,23]pentacosa-1,3(12),4(9),5,7,13,15,17(25),18,20,22-undecaen-6-yl)phenyl]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5c(c4)-c4cc6c(ccc7c8ccccc8sc67)cc4CC5c4ccccc4)cc3)c3cccc(-c4ccccc4)c3)cc21
InChIInChI=1S/C63H45NS/c1-63(2)59-22-11-9-20-51(59)52-33-30-49(38-60(52)63)64(48-19-13-18-43(35-48)40-14-5-3-6-15-40)47-28-24-41(25-29-47)44-26-31-50-55(42-16-7-4-8-17-42)37-46-34-45-27-32-54-53-21-10-12-23-61(53)65-62(54)57(45)39-56(46)58(50)36-44/h3-36,38-39,55H,37H2,1-2H3
InChIKeyXTSNCVXVCQLZQT-UHFFFAOYSA-N
MW848.13 g/mol
LogP17.67
Rot. Bonds6

About 9,9-dimethyl-N-(3-phenylphenyl)-N-[4-(10-phenyl-24-thiahexacyclo[12.11.0.03,12.04,9.017,25.018,23]pentacosa-1,3(12),4(9),5,7,13,15,17(25),18,20,22-undecaen-6-yl)phenyl]fluoren-2-amine

9,9-dimethyl-N-(3-phenylphenyl)-N-[4-(10-phenyl-24-thiahexacyclo[12.11.0.03,12.04,9.017,25.018,23]pentacosa-1,3(12),4(9),5,7,13,15,17(25),18,20,22-undecaen-6-yl)phenyl]fluoren-2-amine (PubChem CID 126718119) has the molecular formula C63H45NS and a molecular weight of 848.13 g/mol. Its IUPAC name is 9,9-dimethyl-N-(3-phenylphenyl)-N-[4-(10-phenyl-24-thiahexacyclo[12.11.0.03,12.04,9.017,25.018,23]pentacosa-1,3(12),4(9),5,7,13,15,17(25),18,20,22-undecaen-6-yl)phenyl]fluoren-2-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-(3-phenylphenyl)-N-[4-(10-phenyl-24-thiahexacyclo[12.11.0.03,12.04,9.017,25.018,23]pentacosa-1,3(12),4(9),5,7,13,15,17(25),18,20,22-undecaen-6-yl)phenyl]fluoren-2-amine
PubChem CID126718119
Molecular FormulaC63H45NS
Molecular Weight848.13 g/mol
Exact Mass847.33
IUPAC Name9,9-dimethyl-N-(3-phenylphenyl)-N-[4-(10-phenyl-24-thiahexacyclo[12.11.0.03,12.04,9.017,25.018,23]pentacosa-1,3(12),4(9),5,7,13,15,17(25),18,20,22-undecaen-6-yl)phenyl]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5c(c4)-c4cc6c(ccc7c8ccccc8sc67)cc4CC5c4ccccc4)cc3)c3cccc(-c4ccccc4)c3)cc21
InChIInChI=1S/C63H45NS/c1-63(2)59-22-11-9-20-51(59)52-33-30-49(38-60(52)63)64(48-19-13-18-43(35-48)40-14-5-3-6-15-40)47-28-24-41(25-29-47)44-26-31-50-55(42-16-7-4-8-17-42)37-46-34-45-27-32-54-53-21-10-12-23-61(53)65-62(54)57(45)39-56(46)58(50)36-44/h3-36,38-39,55H,37H2,1-2H3
InChIKeyXTSNCVXVCQLZQT-UHFFFAOYSA-N
XLogP17.67
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500848.13
LogP ≤ 517.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 9,9-dimethyl-N-(3-phenylphenyl)-N-[4-(10-phenyl-24-thiahexacyclo[12.11.0.03,12.04,9.017,25.018,23]pentacosa-1,3(12),4(9),5,7,13,15,17(25),18,20,22-undecaen-6-yl)phenyl]fluoren-2-amine with MolForge

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Related Compounds

9,9-dimethyl-N-(3-phenylphenyl)-N-[4-[22-(4-phenylphenyl)-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-18-yl]phenyl]fluoren-2-amine
CID 126621573
5-dibenzothiophen-4-yl-3-N-(9,9-dimethylfluoren-2-yl)-1-N,3-N-diphenyl-1-N-(4-phenylphenyl)benzene-1,3-diamine
CID 138519580
N-(3-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-phenylfluoren-2-amine
CID 121323910
1-N-(9,9-dimethylfluoren-2-yl)-3-N-(3,5-diphenylphenyl)-5-[3-(3-naphtho[1,2-b][1]benzothiol-8-ylphenyl)phenyl]-1-N,3-N-diphenylbenzene-1,3-diamine
CID 122634341
N-[9,9-dimethyl-7-(9-phenyl-9,10-dihydrophenanthren-3-yl)fluoren-2-yl]-N-(4-phenylphenyl)phenanthren-3-amine
CID 137427337
9,9-dimethyl-N-naphthalen-2-yl-N-(4-naphtho[1,2-b][1]benzothiol-4-ylphenyl)fluoren-2-amine
CID 177079863
9,9-dimethyl-N-[4-[8-[4-[4-(N-(4-naphtho[1,2-b][1]benzothiol-4-ylnaphthalen-1-yl)anilino)phenyl]phenyl]naphtho[1,2-b][1]benzothiol-4-yl]naphthalen-2-yl]-N-phenylfluoren-2-amine
CID 146294960
N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-9,9-dimethyl-N,7-diphenylfluoren-2-amine
CID 67964214
N-(4-dibenzothiophen-2-ylphenyl)-9,9-dimethyl-N-phenylfluoren-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-N,3-diphenylaniline;N-(4-dibenzothiophen-2-ylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine
CID 157140091
N-[4-[(9R)-15-dibenzothiophen-3-yl-9-tetracyclo[8.7.1.02,7.014,18]octadeca-1(18),2,4,6,10,12,14,16-octaenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 144990328
N-(2-dibenzothiophen-4-yl-5-phenylphenyl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 176987143
N-(4-dibenzothiophen-3-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-3-phenylaniline
CID 168839480

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-(3-phenylphenyl)-N-[4-(10-phenyl-24-thiahexacyclo[12.11.0.03,12.04,9.017,25.018,23]pentacosa-1,3(12),4(9),5,7,13,15,17(25),18,20,22-undecaen-6-yl)phenyl]fluoren-2-amine?
The IUPAC name of 9,9-dimethyl-N-(3-phenylphenyl)-N-[4-(10-phenyl-24-thiahexacyclo[12.11.0.03,12.04,9.017,25.018,23]pentacosa-1,3(12),4(9),5,7,13,15,17(25),18,20,22-undecaen-6-yl)phenyl]fluoren-2-amine (CID 126718119) is 9,9-dimethyl-N-(3-phenylphenyl)-N-[4-(10-phenyl-24-thiahexacyclo[12.11.0.03,12.04,9.017,25.018,23]pentacosa-1,3(12),4(9),5,7,13,15,17(25),18,20,22-undecaen-6-yl)phenyl]fluoren-2-amine.
What is the SMILES notation for 9,9-dimethyl-N-(3-phenylphenyl)-N-[4-(10-phenyl-24-thiahexacyclo[12.11.0.03,12.04,9.017,25.018,23]pentacosa-1,3(12),4(9),5,7,13,15,17(25),18,20,22-undecaen-6-yl)phenyl]fluoren-2-amine?
The canonical SMILES for 9,9-dimethyl-N-(3-phenylphenyl)-N-[4-(10-phenyl-24-thiahexacyclo[12.11.0.03,12.04,9.017,25.018,23]pentacosa-1,3(12),4(9),5,7,13,15,17(25),18,20,22-undecaen-6-yl)phenyl]fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5c(c4)-c4cc6c(ccc7c8ccccc8sc67)cc4CC5c4ccccc4)cc3)c3cccc(-c4ccccc4)c3)cc21.
What is the InChIKey of 9,9-dimethyl-N-(3-phenylphenyl)-N-[4-(10-phenyl-24-thiahexacyclo[12.11.0.03,12.04,9.017,25.018,23]pentacosa-1,3(12),4(9),5,7,13,15,17(25),18,20,22-undecaen-6-yl)phenyl]fluoren-2-amine?
The InChIKey is XTSNCVXVCQLZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H45NS/c1-63(2)59-22-11-9-20-51(59)52-33-30-49(38-60(52)63)64(48-19-13-18-43(35-48)40-14-5-3-6-15-40)47-28-24-41(25-29-47)44-26-31-50-55(42-16-7-4-8-17-42)37-46-34-45-27-32-54-53-21-10-12-23-61(53)65-62(54)57(45)39-56(46)58(50)36-44/h3-36,38-39,55H,37H2,1-2H3.
What are the key properties of 9,9-dimethyl-N-(3-phenylphenyl)-N-[4-(10-phenyl-24-thiahexacyclo[12.11.0.03,12.04,9.017,25.018,23]pentacosa-1,3(12),4(9),5,7,13,15,17(25),18,20,22-undecaen-6-yl)phenyl]fluoren-2-amine?
9,9-dimethyl-N-(3-phenylphenyl)-N-[4-(10-phenyl-24-thiahexacyclo[12.11.0.03,12.04,9.017,25.018,23]pentacosa-1,3(12),4(9),5,7,13,15,17(25),18,20,22-undecaen-6-yl)phenyl]fluoren-2-amine has a molecular weight of 848.13 g/mol, XLogP of 17.67, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-N-(3-phenylphenyl)-N-[4-(10-phenyl-24-thiahexacyclo[12.11.0.03,12.04,9.017,25.018,23]pentacosa-1,3(12),4(9),5,7,13,15,17(25),18,20,22-undecaen-6-yl)phenyl]fluoren-2-amine is sourced from PubChem (CID 126718119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).