10-N,22-N-diphenyl-10-N,22-N-bis(3-phenylphenyl)-7-thia-1-azaoctacyclo[17.10.1.02,18.03,15.06,14.08,13.023,30.024,29]triaconta-2(18),3(15),4,6(14),8(13),9,11,16,19(30),20,22,24,26,28-tetradecaene-10,22-diamine

C64H41N3S — CID 164840294

IUPAC10-N,22-N-diphenyl-10-N,22-N-bis(3-phenylphenyl)-7-thia-1-azaoctacyclo[17.10.1.02,18.03,15.06,14.08,13.023,30.024,29]triaconta-2(18),3(15),4,6(14),8(13),9,11,16,19(30),20,22,24,26,28-tetradecaene-10,22-diamine
SMILESc1ccc(-c2cccc(N(c3ccccc3)c3ccc4c(c3)sc3ccc5c(ccc6c7ccc(N(c8ccccc8)c8cccc(-c9ccccc9)c8)c8c9ccccc9n(c56)c78)c34)c2)cc1
InChIInChI=1S/C64H41N3S/c1-5-17-42(18-6-1)44-21-15-27-48(39-44)65(46-23-9-3-10-24-46)50-31-32-56-60(41-50)68-59-38-36-52-51(61(56)59)33-34-53-54-35-37-58(62-55-29-13-14-30-57(55)67(63(52)53)64(54)62)66(47-25-11-4-12-26-47)49-28-16-22-45(40-49)43-19-7-2-8-20-43/h1-41H
InChIKeyIXBNLEFFBZDKCX-UHFFFAOYSA-N
MW884.12 g/mol
LogP18.63
Rot. Bonds8

About 10-N,22-N-diphenyl-10-N,22-N-bis(3-phenylphenyl)-7-thia-1-azaoctacyclo[17.10.1.02,18.03,15.06,14.08,13.023,30.024,29]triaconta-2(18),3(15),4,6(14),8(13),9,11,16,19(30),20,22,24,26,28-tetradecaene-10,22-diamine

10-N,22-N-diphenyl-10-N,22-N-bis(3-phenylphenyl)-7-thia-1-azaoctacyclo[17.10.1.02,18.03,15.06,14.08,13.023,30.024,29]triaconta-2(18),3(15),4,6(14),8(13),9,11,16,19(30),20,22,24,26,28-tetradecaene-10,22-diamine (PubChem CID 164840294) has the molecular formula C64H41N3S and a molecular weight of 884.12 g/mol. Its IUPAC name is 10-N,22-N-diphenyl-10-N,22-N-bis(3-phenylphenyl)-7-thia-1-azaoctacyclo[17.10.1.02,18.03,15.06,14.08,13.023,30.024,29]triaconta-2(18),3(15),4,6(14),8(13),9,11,16,19(30),20,22,24,26,28-tetradecaene-10,22-diamine.

Molecular Properties

Compound Name10-N,22-N-diphenyl-10-N,22-N-bis(3-phenylphenyl)-7-thia-1-azaoctacyclo[17.10.1.02,18.03,15.06,14.08,13.023,30.024,29]triaconta-2(18),3(15),4,6(14),8(13),9,11,16,19(30),20,22,24,26,28-tetradecaene-10,22-diamine
PubChem CID164840294
Molecular FormulaC64H41N3S
Molecular Weight884.12 g/mol
Exact Mass883.30
IUPAC Name10-N,22-N-diphenyl-10-N,22-N-bis(3-phenylphenyl)-7-thia-1-azaoctacyclo[17.10.1.02,18.03,15.06,14.08,13.023,30.024,29]triaconta-2(18),3(15),4,6(14),8(13),9,11,16,19(30),20,22,24,26,28-tetradecaene-10,22-diamine
SMILESc1ccc(-c2cccc(N(c3ccccc3)c3ccc4c(c3)sc3ccc5c(ccc6c7ccc(N(c8ccccc8)c8cccc(-c9ccccc9)c8)c8c9ccccc9n(c56)c78)c34)c2)cc1
InChIInChI=1S/C64H41N3S/c1-5-17-42(18-6-1)44-21-15-27-48(39-44)65(46-23-9-3-10-24-46)50-31-32-56-60(41-50)68-59-38-36-52-51(61(56)59)33-34-53-54-35-37-58(62-55-29-13-14-30-57(55)67(63(52)53)64(54)62)66(47-25-11-4-12-26-47)49-28-16-22-45(40-49)43-19-7-2-8-20-43/h1-41H
InChIKeyIXBNLEFFBZDKCX-UHFFFAOYSA-N
XLogP18.63
TPSA10.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500884.12
LogP ≤ 518.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 10-N,22-N-diphenyl-10-N,22-N-bis(3-phenylphenyl)-7-thia-1-azaoctacyclo[17.10.1.02,18.03,15.06,14.08,13.023,30.024,29]triaconta-2(18),3(15),4,6(14),8(13),9,11,16,19(30),20,22,24,26,28-tetradecaene-10,22-diamine with MolForge

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Related Compounds

13-N,28-N-diphenyl-13-N,28-N-bis(3-phenylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine
CID 138506964
13-N,28-N,3,18-tetraphenyl-13-N,28-N-bis(3-phenylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine
CID 155641619
N-dibenzothiophen-2-yl-N-(4-dibenzothiophen-2-ylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-9-amine
CID 145355220
1-dibenzothiophen-1-yl-N,9-diphenyl-N-(3-phenylphenyl)carbazol-4-amine
CID 156664554
N-[4-[8-[4-(N-phenylanilino)phenyl]dibenzothiophen-3-yl]phenyl]-N-(3-phenylphenyl)dibenzothiophen-1-amine
CID 134553278
7-N-(1-azahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8(22),9,11,13,15,17(23),18,20-undecaen-14-yl)-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine
CID 164839404
24-[4-[4-(N-(24,29-diphenyl-4,20-diazanonacyclo[18.10.1.14,11.02,19.03,16.05,10.021,26.027,31.015,32]dotriaconta-1(30),2(19),3(16),5,7,9,11,13,15(32),17,21(26),22,24,27(31),28-pentadecaen-12-yl)anilino)phenyl]phenyl]-N,N,29-triphenyl-4,20-diazanonacyclo[18.10.1.14,11.02,19.03,16.05,10.021,26.027,31.015,32]dotriaconta-1(30),2(19),3(16),5,7,9,11(32),12,14,17,21(26),22,24,27(31),28-pentadecaen-13-amine
CID 167105213
N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-(3-phenylphenyl)dibenzothiophen-1-amine;N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-(3-phenylphenyl)dibenzothiophen-2-amine;N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-(3-phenylphenyl)dibenzothiophen-3-amine
CID 164980163
N-dibenzothiophen-1-yl-N-(4-phenylphenyl)-8,15-diazaheptacyclo[13.9.2.02,7.08,25.09,14.016,21.022,26]hexacosa-1(25),2,4,6,9(14),10,12,16,18,20,22(26),23-dodecaen-11-amine
CID 170280857
7-N-dibenzothiophen-3-yl-2-N,2-N-diphenyl-7-N-[4-[3-(N-phenylanilino)phenyl]phenyl]dibenzothiophene-2,7-diamine
CID 131979873
10-N,27-N-bis(4-tert-butylphenyl)-10-N,27-N,23-triphenyl-13-thia-19-azaoctacyclo[17.10.1.02,18.04,16.06,14.07,12.020,25.026,30]triaconta-1(30),2,4,6(14),7(12),8,10,15,17,20(25),21,23,26,28-tetradecaene-10,27-diamine
CID 164840134
2-N,2-N-diphenyl-7-N-[4-[3-(N-phenylanilino)phenyl]phenyl]-7-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine
CID 131979910

Frequently Asked Questions

What is the IUPAC name of 10-N,22-N-diphenyl-10-N,22-N-bis(3-phenylphenyl)-7-thia-1-azaoctacyclo[17.10.1.02,18.03,15.06,14.08,13.023,30.024,29]triaconta-2(18),3(15),4,6(14),8(13),9,11,16,19(30),20,22,24,26,28-tetradecaene-10,22-diamine?
The IUPAC name of 10-N,22-N-diphenyl-10-N,22-N-bis(3-phenylphenyl)-7-thia-1-azaoctacyclo[17.10.1.02,18.03,15.06,14.08,13.023,30.024,29]triaconta-2(18),3(15),4,6(14),8(13),9,11,16,19(30),20,22,24,26,28-tetradecaene-10,22-diamine (CID 164840294) is 10-N,22-N-diphenyl-10-N,22-N-bis(3-phenylphenyl)-7-thia-1-azaoctacyclo[17.10.1.02,18.03,15.06,14.08,13.023,30.024,29]triaconta-2(18),3(15),4,6(14),8(13),9,11,16,19(30),20,22,24,26,28-tetradecaene-10,22-diamine.
What is the SMILES notation for 10-N,22-N-diphenyl-10-N,22-N-bis(3-phenylphenyl)-7-thia-1-azaoctacyclo[17.10.1.02,18.03,15.06,14.08,13.023,30.024,29]triaconta-2(18),3(15),4,6(14),8(13),9,11,16,19(30),20,22,24,26,28-tetradecaene-10,22-diamine?
The canonical SMILES for 10-N,22-N-diphenyl-10-N,22-N-bis(3-phenylphenyl)-7-thia-1-azaoctacyclo[17.10.1.02,18.03,15.06,14.08,13.023,30.024,29]triaconta-2(18),3(15),4,6(14),8(13),9,11,16,19(30),20,22,24,26,28-tetradecaene-10,22-diamine is c1ccc(-c2cccc(N(c3ccccc3)c3ccc4c(c3)sc3ccc5c(ccc6c7ccc(N(c8ccccc8)c8cccc(-c9ccccc9)c8)c8c9ccccc9n(c56)c78)c34)c2)cc1.
What is the InChIKey of 10-N,22-N-diphenyl-10-N,22-N-bis(3-phenylphenyl)-7-thia-1-azaoctacyclo[17.10.1.02,18.03,15.06,14.08,13.023,30.024,29]triaconta-2(18),3(15),4,6(14),8(13),9,11,16,19(30),20,22,24,26,28-tetradecaene-10,22-diamine?
The InChIKey is IXBNLEFFBZDKCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H41N3S/c1-5-17-42(18-6-1)44-21-15-27-48(39-44)65(46-23-9-3-10-24-46)50-31-32-56-60(41-50)68-59-38-36-52-51(61(56)59)33-34-53-54-35-37-58(62-55-29-13-14-30-57(55)67(63(52)53)64(54)62)66(47-25-11-4-12-26-47)49-28-16-22-45(40-49)43-19-7-2-8-20-43/h1-41H.
What are the key properties of 10-N,22-N-diphenyl-10-N,22-N-bis(3-phenylphenyl)-7-thia-1-azaoctacyclo[17.10.1.02,18.03,15.06,14.08,13.023,30.024,29]triaconta-2(18),3(15),4,6(14),8(13),9,11,16,19(30),20,22,24,26,28-tetradecaene-10,22-diamine?
10-N,22-N-diphenyl-10-N,22-N-bis(3-phenylphenyl)-7-thia-1-azaoctacyclo[17.10.1.02,18.03,15.06,14.08,13.023,30.024,29]triaconta-2(18),3(15),4,6(14),8(13),9,11,16,19(30),20,22,24,26,28-tetradecaene-10,22-diamine has a molecular weight of 884.12 g/mol, XLogP of 18.63, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-N,22-N-diphenyl-10-N,22-N-bis(3-phenylphenyl)-7-thia-1-azaoctacyclo[17.10.1.02,18.03,15.06,14.08,13.023,30.024,29]triaconta-2(18),3(15),4,6(14),8(13),9,11,16,19(30),20,22,24,26,28-tetradecaene-10,22-diamine is sourced from PubChem (CID 164840294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).