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

C55H36N2S2 — CID 126718187

IUPACN-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
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4sc5ccccc5c4c3)c3ccc4c(c3)c3ccc5cc6sc7ccccc7c6cc5c3n4-c3ccccc3)cc21
InChIInChI=1S/C55H36N2S2/c1-55(2)47-17-9-6-14-38(47)39-25-21-37(31-48(39)55)56(36-23-27-52-45(30-36)40-15-7-10-18-50(40)58-52)35-22-26-49-44(29-35)42-24-20-33-28-53-46(41-16-8-11-19-51(41)59-53)32-43(33)54(42)57(49)34-12-4-3-5-13-34/h3-32H,1-2H3
InChIKeyHUBGEJXOZYUAGB-UHFFFAOYSA-N
MW789.04 g/mol
LogP16.45
Rot. Bonds4

About 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

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 (PubChem CID 126718187) has the molecular formula C55H36N2S2 and a molecular weight of 789.04 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-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
PubChem CID126718187
Molecular FormulaC55H36N2S2
Molecular Weight789.04 g/mol
Exact Mass788.23
IUPAC NameN-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
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4sc5ccccc5c4c3)c3ccc4c(c3)c3ccc5cc6sc7ccccc7c6cc5c3n4-c3ccccc3)cc21
InChIInChI=1S/C55H36N2S2/c1-55(2)47-17-9-6-14-38(47)39-25-21-37(31-48(39)55)56(36-23-27-52-45(30-36)40-15-7-10-18-50(40)58-52)35-22-26-49-44(29-35)42-24-20-33-28-53-46(41-16-8-11-19-51(41)59-53)32-43(33)54(42)57(49)34-12-4-3-5-13-34/h3-32H,1-2H3
InChIKeyHUBGEJXOZYUAGB-UHFFFAOYSA-N
XLogP16.45
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500789.04
LogP ≤ 516.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

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Related Compounds

N-[3-[9-(9,9-dimethylfluoren-2-yl)-16-thia-9-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),17,19,21-undecaen-5-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 140905672
N,N-bis(9,9-dimethylfluoren-2-yl)-10,20-dithiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-amine
CID 146647948
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
N-(9,9-dimethylfluoren-2-yl)-N-phenyl-8-(7-phenylbenzo[c]carbazol-10-yl)dibenzothiophen-2-amine
CID 70853892
N,4-diphenyl-N-[4-[4-(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-yl)phenyl]phenyl]aniline
CID 126718544
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-(4-dibenzothiophen-2-ylphenyl)-9,9-dimethyl-N-[6-(9-phenylcarbazol-3-yl)naphthalen-2-yl]fluoren-2-amine;N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-[6-(9-phenylcarbazol-3-yl)naphthalen-2-yl]fluoren-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-[6-(9-phenylcarbazol-3-yl)naphthalen-2-yl]dibenzothiophen-2-amine
CID 161237159
N,N-bis(9,9-dimethylfluoren-2-yl)naphtho[2,1-b][1]benzothiol-3-amine
CID 170043531
N-(4-naphthalen-2-ylphenyl)-N-phenyl-3-(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-yl)aniline
CID 126718198
N-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 66585302
N-(9,9-dimethylfluoren-3-yl)-11-phenyl-N-(4-phenylphenyl)benzo[a]carbazol-8-amine
CID 166847480
N-(9,9-dimethylfluoren-2-yl)-N-(3,5-diphenylphenyl)dibenzothiophen-2-amine
CID 118405888

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2ccccc2-c2ccc(N(c3ccc4sc5ccccc5c4c3)c3ccc4c(c3)c3ccc5cc6sc7ccccc7c6cc5c3n4-c3ccccc3)cc21.
What is the InChIKey of 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?
The InChIKey is HUBGEJXOZYUAGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H36N2S2/c1-55(2)47-17-9-6-14-38(47)39-25-21-37(31-48(39)55)56(36-23-27-52-45(30-36)40-15-7-10-18-50(40)58-52)35-22-26-49-44(29-35)42-24-20-33-28-53-46(41-16-8-11-19-51(41)59-53)32-43(33)54(42)57(49)34-12-4-3-5-13-34/h3-32H,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 789.04 g/mol, XLogP of 16.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 126718187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).