N,N,17-triphenyl-10-thia-17,23-diazahexacyclo[11.10.0.03,11.04,9.014,22.016,20]tricosa-1(13),2,4,6,8,11,14(22),15,18,20-decaen-23-amine

C38H25N3S — CID 90267284

IUPACN,N,17-triphenyl-10-thia-17,23-diazahexacyclo[11.10.0.03,11.04,9.014,22.016,20]tricosa-1(13),2,4,6,8,11,14(22),15,18,20-decaen-23-amine
SMILESc1ccc(N(c2ccccc2)n2c3cc4ccn(-c5ccccc5)c4cc3c3cc4sc5ccccc5c4cc32)cc1
InChIInChI=1S/C38H25N3S/c1-4-12-27(13-5-1)39-21-20-26-22-35-31(23-34(26)39)32-25-38-33(30-18-10-11-19-37(30)42-38)24-36(32)41(35)40(28-14-6-2-7-15-28)29-16-8-3-9-17-29/h1-25H
InChIKeyRSYBWONVIINTEY-UHFFFAOYSA-N
MW555.71 g/mol
LogP10.71
Rot. Bonds4

About N,N,17-triphenyl-10-thia-17,23-diazahexacyclo[11.10.0.03,11.04,9.014,22.016,20]tricosa-1(13),2,4,6,8,11,14(22),15,18,20-decaen-23-amine

N,N,17-triphenyl-10-thia-17,23-diazahexacyclo[11.10.0.03,11.04,9.014,22.016,20]tricosa-1(13),2,4,6,8,11,14(22),15,18,20-decaen-23-amine (PubChem CID 90267284) has the molecular formula C38H25N3S and a molecular weight of 555.71 g/mol. Its IUPAC name is N,N,17-triphenyl-10-thia-17,23-diazahexacyclo[11.10.0.03,11.04,9.014,22.016,20]tricosa-1(13),2,4,6,8,11,14(22),15,18,20-decaen-23-amine.

Molecular Properties

Compound NameN,N,17-triphenyl-10-thia-17,23-diazahexacyclo[11.10.0.03,11.04,9.014,22.016,20]tricosa-1(13),2,4,6,8,11,14(22),15,18,20-decaen-23-amine
PubChem CID90267284
Molecular FormulaC38H25N3S
Molecular Weight555.71 g/mol
Exact Mass555.18
IUPAC NameN,N,17-triphenyl-10-thia-17,23-diazahexacyclo[11.10.0.03,11.04,9.014,22.016,20]tricosa-1(13),2,4,6,8,11,14(22),15,18,20-decaen-23-amine
SMILESc1ccc(N(c2ccccc2)n2c3cc4ccn(-c5ccccc5)c4cc3c3cc4sc5ccccc5c4cc32)cc1
InChIInChI=1S/C38H25N3S/c1-4-12-27(13-5-1)39-21-20-26-22-35-31(23-34(26)39)32-25-38-33(30-18-10-11-19-37(30)42-38)24-36(32)41(35)40(28-14-6-2-7-15-28)29-16-8-3-9-17-29/h1-25H
InChIKeyRSYBWONVIINTEY-UHFFFAOYSA-N
XLogP10.71
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.71
LogP ≤ 510.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N,N,17-triphenyl-10-thia-17,23-diazahexacyclo[11.10.0.03,11.04,9.014,22.016,20]tricosa-1(13),2,4,6,8,11,14(22),15,18,20-decaen-23-amine with MolForge

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Related Compounds

23-(4-methylphenyl)-17-phenyl-10-thia-17,23-diazahexacyclo[11.10.0.03,11.04,9.014,22.016,20]tricosa-1(13),2,4,6,8,11,14(22),15,18,20-decaene
CID 90267227
18-phenyl-10-thia-14,18-diazahexacyclo[11.10.0.03,11.04,9.015,23.017,21]tricosa-1(13),2,4,6,8,11,15(23),16,19,21-decaene
CID 144661701
18-phenyl-14-(3-pyridin-2-ylphenyl)-10-thia-14,18-diazahexacyclo[11.10.0.03,11.04,9.015,23.017,21]tricosa-1(13),2,4,6,8,11,15(23),16,19,21-decaene
CID 90267158
20-phenyl-14-(6-pyridin-3-yl-2-pyridinyl)-10-thia-14,20-diazahexacyclo[11.10.0.03,11.04,9.015,23.017,21]tricosa-1(13),2,4,6,8,11,15(23),16,18,21-decaene
CID 90267109
(Z)-but-2-ene;14-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-20-phenyl-10-thia-14,20-diazahexacyclo[11.10.0.03,11.04,9.015,23.017,21]tricosa-1(13),2,4,6,8,11,15(23),16,18,21-decaene;ethane
CID 144661712
N,N-diphenyl-11-[4-(N-phenylanilino)phenyl]-[1]benzothiolo[3,2-b]carbazol-9-amine
CID 90050804
N,N-diphenyl-11-[3-(N-phenylanilino)phenyl]-[1]benzothiolo[3,2-b]carbazol-8-amine
CID 90050805
9-(3-carbazol-9-ylphenyl)-1-phenylpyrrolo[2,3-b]carbazole
CID 118315081
N-[4-(10,17-diphenyl-10,17,23-triazahexacyclo[11.10.0.03,11.04,9.014,22.016,20]tricosa-1(13),2,4,6,8,11,14(22),15,18,20-decaen-23-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 90267289
10-(4-carbazol-9-ylphenyl)-18-phenyl-10,18-diazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1,3(11),4,6,8,12,14,16,19-nonaene
CID 90222800
23-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]-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-decaene
CID 90267628
buta-1,3-diene;ethane;20-phenyl-14-(6-pyridin-3-yl-2-pyridinyl)-10-thia-14,20-diazahexacyclo[11.10.0.03,11.04,9.015,23.017,21]tricosa-1(13),2,4,6,8,11,15(23),16,18,21-decaene;prop-1-ene
CID 144661702

Frequently Asked Questions

What is the IUPAC name of N,N,17-triphenyl-10-thia-17,23-diazahexacyclo[11.10.0.03,11.04,9.014,22.016,20]tricosa-1(13),2,4,6,8,11,14(22),15,18,20-decaen-23-amine?
The IUPAC name of N,N,17-triphenyl-10-thia-17,23-diazahexacyclo[11.10.0.03,11.04,9.014,22.016,20]tricosa-1(13),2,4,6,8,11,14(22),15,18,20-decaen-23-amine (CID 90267284) is N,N,17-triphenyl-10-thia-17,23-diazahexacyclo[11.10.0.03,11.04,9.014,22.016,20]tricosa-1(13),2,4,6,8,11,14(22),15,18,20-decaen-23-amine.
What is the SMILES notation for N,N,17-triphenyl-10-thia-17,23-diazahexacyclo[11.10.0.03,11.04,9.014,22.016,20]tricosa-1(13),2,4,6,8,11,14(22),15,18,20-decaen-23-amine?
The canonical SMILES for N,N,17-triphenyl-10-thia-17,23-diazahexacyclo[11.10.0.03,11.04,9.014,22.016,20]tricosa-1(13),2,4,6,8,11,14(22),15,18,20-decaen-23-amine is c1ccc(N(c2ccccc2)n2c3cc4ccn(-c5ccccc5)c4cc3c3cc4sc5ccccc5c4cc32)cc1.
What is the InChIKey of N,N,17-triphenyl-10-thia-17,23-diazahexacyclo[11.10.0.03,11.04,9.014,22.016,20]tricosa-1(13),2,4,6,8,11,14(22),15,18,20-decaen-23-amine?
The InChIKey is RSYBWONVIINTEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H25N3S/c1-4-12-27(13-5-1)39-21-20-26-22-35-31(23-34(26)39)32-25-38-33(30-18-10-11-19-37(30)42-38)24-36(32)41(35)40(28-14-6-2-7-15-28)29-16-8-3-9-17-29/h1-25H.
What are the key properties of N,N,17-triphenyl-10-thia-17,23-diazahexacyclo[11.10.0.03,11.04,9.014,22.016,20]tricosa-1(13),2,4,6,8,11,14(22),15,18,20-decaen-23-amine?
N,N,17-triphenyl-10-thia-17,23-diazahexacyclo[11.10.0.03,11.04,9.014,22.016,20]tricosa-1(13),2,4,6,8,11,14(22),15,18,20-decaen-23-amine has a molecular weight of 555.71 g/mol, XLogP of 10.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,17-triphenyl-10-thia-17,23-diazahexacyclo[11.10.0.03,11.04,9.014,22.016,20]tricosa-1(13),2,4,6,8,11,14(22),15,18,20-decaen-23-amine is sourced from PubChem (CID 90267284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).