9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(18-phenyl-10-thia-18,23-diazahexacyclo[11.10.0.03,11.04,9.014,22.017,21]tricosa-1(13),2,4,6,8,11,14(22),15,17(21),19-decaen-23-yl)phenyl]fluoren-2-amine

C59H41N3S — CID 90267606

IUPAC9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(18-phenyl-10-thia-18,23-diazahexacyclo[11.10.0.03,11.04,9.014,22.017,21]tricosa-1(13),2,4,6,8,11,14(22),15,17(21),19-decaen-23-yl)phenyl]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-n4c5cc6c(cc5c5ccc7c(ccn7-c7ccccc7)c54)sc4ccccc46)cc3)cc21
InChIInChI=1S/C59H41N3S/c1-59(2)52-19-11-9-17-45(52)46-30-29-44(35-53(46)59)61(41-23-21-39(22-24-41)38-13-5-3-6-14-38)42-25-27-43(28-26-42)62-55-36-51-47-18-10-12-20-56(47)63-57(51)37-50(55)48-31-32-54-49(58(48)62)33-34-60(54)40-15-7-4-8-16-40/h3-37H,1-2H3
InChIKeyNGJOQRJHGMKTHZ-UHFFFAOYSA-N
MW824.07 g/mol
LogP16.54
Rot. Bonds6

About 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(18-phenyl-10-thia-18,23-diazahexacyclo[11.10.0.03,11.04,9.014,22.017,21]tricosa-1(13),2,4,6,8,11,14(22),15,17(21),19-decaen-23-yl)phenyl]fluoren-2-amine

9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(18-phenyl-10-thia-18,23-diazahexacyclo[11.10.0.03,11.04,9.014,22.017,21]tricosa-1(13),2,4,6,8,11,14(22),15,17(21),19-decaen-23-yl)phenyl]fluoren-2-amine (PubChem CID 90267606) has the molecular formula C59H41N3S and a molecular weight of 824.07 g/mol. Its IUPAC name is 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(18-phenyl-10-thia-18,23-diazahexacyclo[11.10.0.03,11.04,9.014,22.017,21]tricosa-1(13),2,4,6,8,11,14(22),15,17(21),19-decaen-23-yl)phenyl]fluoren-2-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(18-phenyl-10-thia-18,23-diazahexacyclo[11.10.0.03,11.04,9.014,22.017,21]tricosa-1(13),2,4,6,8,11,14(22),15,17(21),19-decaen-23-yl)phenyl]fluoren-2-amine
PubChem CID90267606
Molecular FormulaC59H41N3S
Molecular Weight824.07 g/mol
Exact Mass823.30
IUPAC Name9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(18-phenyl-10-thia-18,23-diazahexacyclo[11.10.0.03,11.04,9.014,22.017,21]tricosa-1(13),2,4,6,8,11,14(22),15,17(21),19-decaen-23-yl)phenyl]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-n4c5cc6c(cc5c5ccc7c(ccn7-c7ccccc7)c54)sc4ccccc46)cc3)cc21
InChIInChI=1S/C59H41N3S/c1-59(2)52-19-11-9-17-45(52)46-30-29-44(35-53(46)59)61(41-23-21-39(22-24-41)38-13-5-3-6-14-38)42-25-27-43(28-26-42)62-55-36-51-47-18-10-12-20-56(47)63-57(51)37-50(55)48-31-32-54-49(58(48)62)33-34-60(54)40-15-7-4-8-16-40/h3-37H,1-2H3
InChIKeyNGJOQRJHGMKTHZ-UHFFFAOYSA-N
XLogP16.54
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500824.07
LogP ≤ 516.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(18-phenyl-10-thia-18,23-diazahexacyclo[11.10.0.03,11.04,9.014,22.017,21]tricosa-1(13),2,4,6,8,11,14(22),15,17(21),19-decaen-23-yl)phenyl]fluoren-2-amine with MolForge

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Related Compounds

N-[4-(14,19-diphenyl-3,14,19-triazahexacyclo[11.10.0.02,10.04,9.015,23.016,20]tricosa-1(13),2(10),4,6,8,11,15(23),16(20),17,21-decaen-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 90267330
N-dibenzothiophen-2-yl-N-(9,9-dimethylfluoren-2-yl)-3-phenyl-16-thia-3-azahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17,19,21-undecaen-7-amine
CID 126718187
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(5-phenyl-[1]benzothiolo[2,3-g]carbazol-3-yl)phenyl]fluoren-2-amine
CID 89448271
N-[4-(10,18-diphenyl-10,18,23-triazahexacyclo[11.10.0.03,11.04,9.014,22.017,21]tricosa-1(13),2,4,6,8,11,14(22),15,17(21),19-decaen-23-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 90267456
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]fluoren-2-amine;9,9-diphenyl-N-(4-phenylphenyl)-N-[4-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]fluoren-2-amine;N-(4-phenylphenyl)-N-[4-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]dibenzothiophen-3-amine
CID 160655489
N-[4-(4-carbazol-9-ylphenyl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;N-[4-(4-carbazol-9-ylphenyl)phenyl]-3-phenyl-N-(3-phenylphenyl)aniline;N-[4-[4-(N-dibenzothiophen-3-ylanilino)phenyl]phenyl]-N-phenyldibenzothiophen-3-amine;2-N,8-N-dinaphthalen-1-yl-2-N,8-N-diphenyldibenzothiophene-2,8-diamine;N-[4-[4-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;4-phenyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 158464219
N-(9,9-dimethylfluoren-2-yl)-6,11-diphenyl-N-(4-phenylphenyl)benzo[a]carbazol-9-amine
CID 174305786
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
9,9-dimethyl-N-[3-(6-phenyl-[1]benzothiolo[2,3-b]indol-8-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 90267789
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
N-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 121323471
N-dibenzothiophen-4-yl-12,12-dimethyl-11-phenyl-N-(4-phenylphenyl)indeno[2,1-a]carbazol-8-amine
CID 137385981

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(18-phenyl-10-thia-18,23-diazahexacyclo[11.10.0.03,11.04,9.014,22.017,21]tricosa-1(13),2,4,6,8,11,14(22),15,17(21),19-decaen-23-yl)phenyl]fluoren-2-amine?
The IUPAC name of 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(18-phenyl-10-thia-18,23-diazahexacyclo[11.10.0.03,11.04,9.014,22.017,21]tricosa-1(13),2,4,6,8,11,14(22),15,17(21),19-decaen-23-yl)phenyl]fluoren-2-amine (CID 90267606) is 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(18-phenyl-10-thia-18,23-diazahexacyclo[11.10.0.03,11.04,9.014,22.017,21]tricosa-1(13),2,4,6,8,11,14(22),15,17(21),19-decaen-23-yl)phenyl]fluoren-2-amine.
What is the SMILES notation for 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(18-phenyl-10-thia-18,23-diazahexacyclo[11.10.0.03,11.04,9.014,22.017,21]tricosa-1(13),2,4,6,8,11,14(22),15,17(21),19-decaen-23-yl)phenyl]fluoren-2-amine?
The canonical SMILES for 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(18-phenyl-10-thia-18,23-diazahexacyclo[11.10.0.03,11.04,9.014,22.017,21]tricosa-1(13),2,4,6,8,11,14(22),15,17(21),19-decaen-23-yl)phenyl]fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-n4c5cc6c(cc5c5ccc7c(ccn7-c7ccccc7)c54)sc4ccccc46)cc3)cc21.
What is the InChIKey of 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(18-phenyl-10-thia-18,23-diazahexacyclo[11.10.0.03,11.04,9.014,22.017,21]tricosa-1(13),2,4,6,8,11,14(22),15,17(21),19-decaen-23-yl)phenyl]fluoren-2-amine?
The InChIKey is NGJOQRJHGMKTHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H41N3S/c1-59(2)52-19-11-9-17-45(52)46-30-29-44(35-53(46)59)61(41-23-21-39(22-24-41)38-13-5-3-6-14-38)42-25-27-43(28-26-42)62-55-36-51-47-18-10-12-20-56(47)63-57(51)37-50(55)48-31-32-54-49(58(48)62)33-34-60(54)40-15-7-4-8-16-40/h3-37H,1-2H3.
What are the key properties of 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(18-phenyl-10-thia-18,23-diazahexacyclo[11.10.0.03,11.04,9.014,22.017,21]tricosa-1(13),2,4,6,8,11,14(22),15,17(21),19-decaen-23-yl)phenyl]fluoren-2-amine?
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(18-phenyl-10-thia-18,23-diazahexacyclo[11.10.0.03,11.04,9.014,22.017,21]tricosa-1(13),2,4,6,8,11,14(22),15,17(21),19-decaen-23-yl)phenyl]fluoren-2-amine has a molecular weight of 824.07 g/mol, XLogP of 16.54, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(18-phenyl-10-thia-18,23-diazahexacyclo[11.10.0.03,11.04,9.014,22.017,21]tricosa-1(13),2,4,6,8,11,14(22),15,17(21),19-decaen-23-yl)phenyl]fluoren-2-amine is sourced from PubChem (CID 90267606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).