6-N,16-N-bis(4-methylphenyl)-6-N,16-N-bis[9-(4-methylphenyl)carbazol-3-yl]-10,20-dithiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene-6,16-diamine

C70H50N4S2 — CID 58501326

IUPAC6-N,16-N-bis(4-methylphenyl)-6-N,16-N-bis[9-(4-methylphenyl)carbazol-3-yl]-10,20-dithiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene-6,16-diamine
SMILESCc1ccc(N(c2ccc3sc4cc5c(cc4c3c2)sc2ccc(N(c3ccc(C)cc3)c3ccc4c(c3)c3ccccc3n4-c3ccc(C)cc3)cc25)c2ccc3c(c2)c2ccccc2n3-c2ccc(C)cc2)cc1
InChIInChI=1S/C70H50N4S2/c1-43-13-21-47(22-14-43)71(51-29-33-65-57(37-51)55-9-5-7-11-63(55)73(65)49-25-17-45(3)18-26-49)53-31-35-67-59(39-53)61-41-70-62(42-69(61)75-67)60-40-54(32-36-68(60)76-70)72(48-23-15-44(2)16-24-48)52-30-34-66-58(38-52)56-10-6-8-12-64(56)74(66)50-27-19-46(4)20-28-50/h5-42H,1-4H3
InChIKeyKQSVVUUSGQJDLC-UHFFFAOYSA-N
MW1011.33 g/mol
LogP20.79
Rot. Bonds8

About 6-N,16-N-bis(4-methylphenyl)-6-N,16-N-bis[9-(4-methylphenyl)carbazol-3-yl]-10,20-dithiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene-6,16-diamine

6-N,16-N-bis(4-methylphenyl)-6-N,16-N-bis[9-(4-methylphenyl)carbazol-3-yl]-10,20-dithiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene-6,16-diamine (PubChem CID 58501326) has the molecular formula C70H50N4S2 and a molecular weight of 1011.33 g/mol. Its IUPAC name is 6-N,16-N-bis(4-methylphenyl)-6-N,16-N-bis[9-(4-methylphenyl)carbazol-3-yl]-10,20-dithiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene-6,16-diamine.

Molecular Properties

Compound Name6-N,16-N-bis(4-methylphenyl)-6-N,16-N-bis[9-(4-methylphenyl)carbazol-3-yl]-10,20-dithiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene-6,16-diamine
PubChem CID58501326
Molecular FormulaC70H50N4S2
Molecular Weight1011.33 g/mol
Exact Mass1010.35
IUPAC Name6-N,16-N-bis(4-methylphenyl)-6-N,16-N-bis[9-(4-methylphenyl)carbazol-3-yl]-10,20-dithiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene-6,16-diamine
SMILESCc1ccc(N(c2ccc3sc4cc5c(cc4c3c2)sc2ccc(N(c3ccc(C)cc3)c3ccc4c(c3)c3ccccc3n4-c3ccc(C)cc3)cc25)c2ccc3c(c2)c2ccccc2n3-c2ccc(C)cc2)cc1
InChIInChI=1S/C70H50N4S2/c1-43-13-21-47(22-14-43)71(51-29-33-65-57(37-51)55-9-5-7-11-63(55)73(65)49-25-17-45(3)18-26-49)53-31-35-67-59(39-53)61-41-70-62(42-69(61)75-67)60-40-54(32-36-68(60)76-70)72(48-23-15-44(2)16-24-48)52-30-34-66-58(38-52)56-10-6-8-12-64(56)74(66)50-27-19-46(4)20-28-50/h5-42H,1-4H3
InChIKeyKQSVVUUSGQJDLC-UHFFFAOYSA-N
XLogP20.79
TPSA16.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001011.33
LogP ≤ 520.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-N,16-N-bis(4-methylphenyl)-6-N,16-N-bis[9-(4-methylphenyl)carbazol-3-yl]-10,20-dithiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene-6,16-diamine with MolForge

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Related Compounds

N-(4-methylphenyl)-N,9-diphenylcarbazol-3-amine
CID 90181897
N-[4-[9-(8-methyldibenzothiophen-2-yl)carbazol-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 90321254
N-(4-methylphenyl)-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine
CID 153303724
9-dibenzothiophen-2-yl-N-(4-methylphenyl)-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 118333305
N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]-9-phenylcarbazol-3-amine
CID 70808761
N-(9,21-dithiahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15,17,19,23-undecaen-6-yl)-N,9-diphenylcarbazol-3-amine
CID 162475527
N-[3-(4-carbazol-9-ylphenyl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 121329672
N-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-N-triphenylen-2-yldibenzothiophen-2-amine;N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-triphenylen-2-yldibenzothiophen-2-amine
CID 158224330
N,N-diphenyl-11-[4-(N-phenylanilino)phenyl]-[1]benzothiolo[3,2-b]carbazol-9-amine
CID 90050804
N-(4-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-4-phenylaniline
CID 90077208
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 155396635
N-(4-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-4-(4-phenylphenyl)aniline
CID 90351069

Frequently Asked Questions

What is the IUPAC name of 6-N,16-N-bis(4-methylphenyl)-6-N,16-N-bis[9-(4-methylphenyl)carbazol-3-yl]-10,20-dithiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene-6,16-diamine?
The IUPAC name of 6-N,16-N-bis(4-methylphenyl)-6-N,16-N-bis[9-(4-methylphenyl)carbazol-3-yl]-10,20-dithiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene-6,16-diamine (CID 58501326) is 6-N,16-N-bis(4-methylphenyl)-6-N,16-N-bis[9-(4-methylphenyl)carbazol-3-yl]-10,20-dithiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene-6,16-diamine.
What is the SMILES notation for 6-N,16-N-bis(4-methylphenyl)-6-N,16-N-bis[9-(4-methylphenyl)carbazol-3-yl]-10,20-dithiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene-6,16-diamine?
The canonical SMILES for 6-N,16-N-bis(4-methylphenyl)-6-N,16-N-bis[9-(4-methylphenyl)carbazol-3-yl]-10,20-dithiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene-6,16-diamine is Cc1ccc(N(c2ccc3sc4cc5c(cc4c3c2)sc2ccc(N(c3ccc(C)cc3)c3ccc4c(c3)c3ccccc3n4-c3ccc(C)cc3)cc25)c2ccc3c(c2)c2ccccc2n3-c2ccc(C)cc2)cc1.
What is the InChIKey of 6-N,16-N-bis(4-methylphenyl)-6-N,16-N-bis[9-(4-methylphenyl)carbazol-3-yl]-10,20-dithiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene-6,16-diamine?
The InChIKey is KQSVVUUSGQJDLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H50N4S2/c1-43-13-21-47(22-14-43)71(51-29-33-65-57(37-51)55-9-5-7-11-63(55)73(65)49-25-17-45(3)18-26-49)53-31-35-67-59(39-53)61-41-70-62(42-69(61)75-67)60-40-54(32-36-68(60)76-70)72(48-23-15-44(2)16-24-48)52-30-34-66-58(38-52)56-10-6-8-12-64(56)74(66)50-27-19-46(4)20-28-50/h5-42H,1-4H3.
What are the key properties of 6-N,16-N-bis(4-methylphenyl)-6-N,16-N-bis[9-(4-methylphenyl)carbazol-3-yl]-10,20-dithiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene-6,16-diamine?
6-N,16-N-bis(4-methylphenyl)-6-N,16-N-bis[9-(4-methylphenyl)carbazol-3-yl]-10,20-dithiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene-6,16-diamine has a molecular weight of 1011.33 g/mol, XLogP of 20.79, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,16-N-bis(4-methylphenyl)-6-N,16-N-bis[9-(4-methylphenyl)carbazol-3-yl]-10,20-dithiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene-6,16-diamine is sourced from PubChem (CID 58501326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).