10-N,20-N-dinaphthalen-2-yl-10-N,20-N,6,24-tetraphenyl-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18(23),19,26-undecaene-10,20-diamine

C68H46N4S — CID 163513929

IUPAC10-N,20-N-dinaphthalen-2-yl-10-N,20-N,6,24-tetraphenyl-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18(23),19,26-undecaene-10,20-diamine
SMILESC1=C(N(c2ccccc2)c2ccc3ccccc3c2)CCc2c1c1c3sc4c(ccc5c4c4cc(N(c6ccccc6)c6ccc7ccccc7c6)ccc4n5-c4ccccc4)c3ccc1n2-c1ccccc1
InChIInChI=1S/C68H46N4S/c1-5-21-49(22-6-1)69(53-31-29-45-17-13-15-19-47(45)41-53)55-33-37-61-59(43-55)65-63(71(61)51-25-9-3-10-26-51)39-35-57-58-36-40-64-66(68(58)73-67(57)65)60-44-56(34-38-62(60)72(64)52-27-11-4-12-28-52)70(50-23-7-2-8-24-50)54-32-30-46-18-14-16-20-48(46)42-54/h1-33,35-37,39-44H,34,38H2
InChIKeyDFBQIIMYMJKWNO-UHFFFAOYSA-N
MW951.21 g/mol
LogP19.00
Rot. Bonds8

About 10-N,20-N-dinaphthalen-2-yl-10-N,20-N,6,24-tetraphenyl-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18(23),19,26-undecaene-10,20-diamine

10-N,20-N-dinaphthalen-2-yl-10-N,20-N,6,24-tetraphenyl-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18(23),19,26-undecaene-10,20-diamine (PubChem CID 163513929) has the molecular formula C68H46N4S and a molecular weight of 951.21 g/mol. Its IUPAC name is 10-N,20-N-dinaphthalen-2-yl-10-N,20-N,6,24-tetraphenyl-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18(23),19,26-undecaene-10,20-diamine.

Molecular Properties

Compound Name10-N,20-N-dinaphthalen-2-yl-10-N,20-N,6,24-tetraphenyl-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18(23),19,26-undecaene-10,20-diamine
PubChem CID163513929
Molecular FormulaC68H46N4S
Molecular Weight951.21 g/mol
Exact Mass950.34
IUPAC Name10-N,20-N-dinaphthalen-2-yl-10-N,20-N,6,24-tetraphenyl-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18(23),19,26-undecaene-10,20-diamine
SMILESC1=C(N(c2ccccc2)c2ccc3ccccc3c2)CCc2c1c1c3sc4c(ccc5c4c4cc(N(c6ccccc6)c6ccc7ccccc7c6)ccc4n5-c4ccccc4)c3ccc1n2-c1ccccc1
InChIInChI=1S/C68H46N4S/c1-5-21-49(22-6-1)69(53-31-29-45-17-13-15-19-47(45)41-53)55-33-37-61-59(43-55)65-63(71(61)51-25-9-3-10-26-51)39-35-57-58-36-40-64-66(68(58)73-67(57)65)60-44-56(34-38-62(60)72(64)52-27-11-4-12-28-52)70(50-23-7-2-8-24-50)54-32-30-46-18-14-16-20-48(46)42-54/h1-33,35-37,39-44H,34,38H2
InChIKeyDFBQIIMYMJKWNO-UHFFFAOYSA-N
XLogP19.00
TPSA16.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500951.21
LogP ≤ 519.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 10-N,20-N-dinaphthalen-2-yl-10-N,20-N,6,24-tetraphenyl-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18(23),19,26-undecaene-10,20-diamine with MolForge

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Related Compounds

10-N,10-N,20-N,20-N-tetraphenyl-6,24-bis(4-phenylphenyl)-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18(23),19,21,26-dodecaene-10,20-diamine
CID 88856281
N-dibenzothiophen-2-yl-N-[4-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)phenyl]dibenzothiophen-2-amine;N-naphthalen-2-yl-N-[4-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)phenyl]dibenzothiophen-2-amine;N-[4-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 160828586
N,4-diphenyl-N-[4-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)phenyl]aniline;N-naphthalen-1-yl-N-[4-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)phenyl]naphthalen-1-amine;N-naphthalen-2-yl-N-[4-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)phenyl]naphthalen-2-amine
CID 162150455
N,N-dinaphthalen-1-yl-5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-amine;N,N-dinaphthalen-2-yl-5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-amine;N-naphthalen-1-yl-N-naphthalen-2-yl-5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-amine;N-naphthalen-1-yl-5-phenyl-N-(4-phenylphenyl)-[1]benzothiolo[3,2-c]carbazol-2-amine
CID 160959389
N,5-diphenyl-N-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-c]carbazol-2-amine
CID 89448189
6-(4-ethenylphenyl)-N-[4-[4-(N-[6-(4-ethenylphenyl)-9-phenyl-1,2-dihydrocarbazol-3-yl]anilino)phenyl]phenyl]-N,9-diphenylcarbazol-3-amine
CID 155073664
1-N-naphthalen-2-yl-3-N-[3-(N-naphthalen-2-ylanilino)phenyl]-1-N-phenyl-3-N-(9-phenylcarbazol-3-yl)benzene-1,3-diamine
CID 177275896
7-naphthalen-2-yl-N-naphtho[1,2-b][1]benzothiol-8-yl-N-phenylbenzo[c]carbazol-10-amine
CID 163616554
20-N-cyclohexa-1,3-dien-1-yl-10-N-cyclohexa-2,4-dien-1-yl-10-N,20-N-diphenyl-6,24-bis(9-phenyl-7,8-dihydrocarbazol-3-yl)-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18(23),19,21,26-dodecaene-10,20-diamine
CID 163545071
N-[4-(4-bromophenyl)phenyl]-N,5-diphenyl-[1]benzothiolo[3,2-c]carbazol-2-amine
CID 126702316
N-phenyl-5-[3-(N-phenylanilino)phenyl]-N-[4-(4-phenylphenyl)phenyl]-[1]benzothiolo[3,2-c]carbazol-2-amine;N,N,11-triphenyl-5-[4-(N-phenylanilino)phenyl]-[1]benzothiolo[3,2-c]carbazol-2-amine
CID 157380480
1-N,3-N-dinaphthalen-2-yl-5-(5-phenyl-[1]benzothiolo[2,3-g]carbazol-3-yl)-1-N,3-N-bis(4-phenylphenyl)benzene-1,3-diamine
CID 89448343

Frequently Asked Questions

What is the IUPAC name of 10-N,20-N-dinaphthalen-2-yl-10-N,20-N,6,24-tetraphenyl-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18(23),19,26-undecaene-10,20-diamine?
The IUPAC name of 10-N,20-N-dinaphthalen-2-yl-10-N,20-N,6,24-tetraphenyl-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18(23),19,26-undecaene-10,20-diamine (CID 163513929) is 10-N,20-N-dinaphthalen-2-yl-10-N,20-N,6,24-tetraphenyl-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18(23),19,26-undecaene-10,20-diamine.
What is the SMILES notation for 10-N,20-N-dinaphthalen-2-yl-10-N,20-N,6,24-tetraphenyl-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18(23),19,26-undecaene-10,20-diamine?
The canonical SMILES for 10-N,20-N-dinaphthalen-2-yl-10-N,20-N,6,24-tetraphenyl-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18(23),19,26-undecaene-10,20-diamine is C1=C(N(c2ccccc2)c2ccc3ccccc3c2)CCc2c1c1c3sc4c(ccc5c4c4cc(N(c6ccccc6)c6ccc7ccccc7c6)ccc4n5-c4ccccc4)c3ccc1n2-c1ccccc1.
What is the InChIKey of 10-N,20-N-dinaphthalen-2-yl-10-N,20-N,6,24-tetraphenyl-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18(23),19,26-undecaene-10,20-diamine?
The InChIKey is DFBQIIMYMJKWNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H46N4S/c1-5-21-49(22-6-1)69(53-31-29-45-17-13-15-19-47(45)41-53)55-33-37-61-59(43-55)65-63(71(61)51-25-9-3-10-26-51)39-35-57-58-36-40-64-66(68(58)73-67(57)65)60-44-56(34-38-62(60)72(64)52-27-11-4-12-28-52)70(50-23-7-2-8-24-50)54-32-30-46-18-14-16-20-48(46)42-54/h1-33,35-37,39-44H,34,38H2.
What are the key properties of 10-N,20-N-dinaphthalen-2-yl-10-N,20-N,6,24-tetraphenyl-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18(23),19,26-undecaene-10,20-diamine?
10-N,20-N-dinaphthalen-2-yl-10-N,20-N,6,24-tetraphenyl-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18(23),19,26-undecaene-10,20-diamine has a molecular weight of 951.21 g/mol, XLogP of 19.00, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-N,20-N-dinaphthalen-2-yl-10-N,20-N,6,24-tetraphenyl-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18(23),19,26-undecaene-10,20-diamine is sourced from PubChem (CID 163513929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).