7-N,19-N-bis[9-(3,5-ditert-butylphenyl)carbazol-2-yl]-7-N,19-N-diphenyl-10,16-dithiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine

C86H76N4S2 — CID 158854715

IUPAC7-N,19-N-bis[9-(3,5-ditert-butylphenyl)carbazol-2-yl]-7-N,19-N-diphenyl-10,16-dithiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine
SMILESCC(C)(C)c1cc(-n2c3ccccc3c3ccc(N(c4ccccc4)c4ccc5c(c4)sc4cc6cc7sc8cc(N(c9ccccc9)c9ccc%10c%11ccccc%11n(-c%11cc(C(C)(C)C)cc(C(C)(C)C)c%11)c%10c9)ccc8c7cc6cc45)cc32)cc(C(C)(C)C)c1
InChIInChI=1S/C86H76N4S2/c1-83(2,3)55-43-56(84(4,5)6)46-65(45-55)89-75-29-21-19-27-67(75)69-35-31-61(49-77(69)89)87(59-23-15-13-16-24-59)63-33-37-71-73-39-53-40-74-72-38-34-64(52-82(72)92-80(74)42-54(53)41-79(73)91-81(71)51-63)88(60-25-17-14-18-26-60)62-32-36-70-68-28-20-22-30-76(68)90(78(70)50-62)66-47-57(85(7,8)9)44-58(48-66)86(10,11)12/h13-52H,1-12H3
InChIKeySLLHJNPDBNQLHG-UHFFFAOYSA-N
MW1229.72 g/mol
LogP25.90
Rot. Bonds8

About 7-N,19-N-bis[9-(3,5-ditert-butylphenyl)carbazol-2-yl]-7-N,19-N-diphenyl-10,16-dithiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine

7-N,19-N-bis[9-(3,5-ditert-butylphenyl)carbazol-2-yl]-7-N,19-N-diphenyl-10,16-dithiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine (PubChem CID 158854715) has the molecular formula C86H76N4S2 and a molecular weight of 1229.72 g/mol. Its IUPAC name is 7-N,19-N-bis[9-(3,5-ditert-butylphenyl)carbazol-2-yl]-7-N,19-N-diphenyl-10,16-dithiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine.

Molecular Properties

Compound Name7-N,19-N-bis[9-(3,5-ditert-butylphenyl)carbazol-2-yl]-7-N,19-N-diphenyl-10,16-dithiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine
PubChem CID158854715
Molecular FormulaC86H76N4S2
Molecular Weight1229.72 g/mol
Exact Mass1228.55
IUPAC Name7-N,19-N-bis[9-(3,5-ditert-butylphenyl)carbazol-2-yl]-7-N,19-N-diphenyl-10,16-dithiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine
SMILESCC(C)(C)c1cc(-n2c3ccccc3c3ccc(N(c4ccccc4)c4ccc5c(c4)sc4cc6cc7sc8cc(N(c9ccccc9)c9ccc%10c%11ccccc%11n(-c%11cc(C(C)(C)C)cc(C(C)(C)C)c%11)c%10c9)ccc8c7cc6cc45)cc32)cc(C(C)(C)C)c1
InChIInChI=1S/C86H76N4S2/c1-83(2,3)55-43-56(84(4,5)6)46-65(45-55)89-75-29-21-19-27-67(75)69-35-31-61(49-77(69)89)87(59-23-15-13-16-24-59)63-33-37-71-73-39-53-40-74-72-38-34-64(52-82(72)92-80(74)42-54(53)41-79(73)91-81(71)51-63)88(60-25-17-14-18-26-60)62-32-36-70-68-28-20-22-30-76(68)90(78(70)50-62)66-47-57(85(7,8)9)44-58(48-66)86(10,11)12/h13-52H,1-12H3
InChIKeySLLHJNPDBNQLHG-UHFFFAOYSA-N
XLogP25.90
TPSA16.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms92
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001229.72
LogP ≤ 525.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7-N,19-N-bis[9-(3,5-ditert-butylphenyl)carbazol-2-yl]-7-N,19-N-diphenyl-10,16-dithiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine with MolForge

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Related Compounds

3-N,8-N-bis(4-tert-butylphenyl)-3-N,8-N-di(dibenzothiophen-3-yl)-5-phenylbenzo[b]carbazole-3,8-diamine
CID 139573298
N-(4-tert-butylphenyl)-N,9-diphenylcarbazol-2-amine
CID 167340371
N,N-diphenyl-11-[4-(N-phenylanilino)phenyl]-[1]benzothiolo[3,2-b]carbazol-9-amine
CID 90050804
N-(4-carbazol-9-ylphenyl)-9-dibenzothiophen-2-yl-N-phenylcarbazol-2-amine
CID 118333318
N-dibenzothiophen-3-yl-N-phenyl-10,16-dithiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1(24),2,4(9),5,7,11,13,15(23),17,19,21-undecaen-7-amine
CID 162475544
N,N-diphenyl-8-(9-phenylcarbazol-2-yl)dibenzothiophen-3-amine
CID 145430526
N,N-diphenyl-7-[3-(N-phenylanilino)phenyl]-[1]benzothiolo[2,3-b]carbazol-9-amine
CID 90050702
9-(3,5-ditert-butylphenyl)-N,N-di(phenanthren-2-yl)carbazol-3-amine
CID 162452335
N-(8-bromodibenzothiophen-2-yl)-N,9-diphenylcarbazol-2-amine
CID 129194626
3-N,8-N-bis(4-tert-butylphenyl)-5-(3,5-dimethylphenyl)-3-N,8-N-diphenylbenzo[b]carbazole-3,8-diamine
CID 139573418
7-carbazol-9-yl-N,N-bis(4-phenylphenyl)dibenzothiophen-3-amine
CID 90372077
N-[4-[3-[9-(3,5-diphenylphenyl)carbazol-2-yl]phenyl]phenyl]-N-phenyldibenzothiophen-3-amine
CID 118505674

Frequently Asked Questions

What is the IUPAC name of 7-N,19-N-bis[9-(3,5-ditert-butylphenyl)carbazol-2-yl]-7-N,19-N-diphenyl-10,16-dithiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine?
The IUPAC name of 7-N,19-N-bis[9-(3,5-ditert-butylphenyl)carbazol-2-yl]-7-N,19-N-diphenyl-10,16-dithiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine (CID 158854715) is 7-N,19-N-bis[9-(3,5-ditert-butylphenyl)carbazol-2-yl]-7-N,19-N-diphenyl-10,16-dithiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine.
What is the SMILES notation for 7-N,19-N-bis[9-(3,5-ditert-butylphenyl)carbazol-2-yl]-7-N,19-N-diphenyl-10,16-dithiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine?
The canonical SMILES for 7-N,19-N-bis[9-(3,5-ditert-butylphenyl)carbazol-2-yl]-7-N,19-N-diphenyl-10,16-dithiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine is CC(C)(C)c1cc(-n2c3ccccc3c3ccc(N(c4ccccc4)c4ccc5c(c4)sc4cc6cc7sc8cc(N(c9ccccc9)c9ccc%10c%11ccccc%11n(-c%11cc(C(C)(C)C)cc(C(C)(C)C)c%11)c%10c9)ccc8c7cc6cc45)cc32)cc(C(C)(C)C)c1.
What is the InChIKey of 7-N,19-N-bis[9-(3,5-ditert-butylphenyl)carbazol-2-yl]-7-N,19-N-diphenyl-10,16-dithiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine?
The InChIKey is SLLHJNPDBNQLHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C86H76N4S2/c1-83(2,3)55-43-56(84(4,5)6)46-65(45-55)89-75-29-21-19-27-67(75)69-35-31-61(49-77(69)89)87(59-23-15-13-16-24-59)63-33-37-71-73-39-53-40-74-72-38-34-64(52-82(72)92-80(74)42-54(53)41-79(73)91-81(71)51-63)88(60-25-17-14-18-26-60)62-32-36-70-68-28-20-22-30-76(68)90(78(70)50-62)66-47-57(85(7,8)9)44-58(48-66)86(10,11)12/h13-52H,1-12H3.
What are the key properties of 7-N,19-N-bis[9-(3,5-ditert-butylphenyl)carbazol-2-yl]-7-N,19-N-diphenyl-10,16-dithiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine?
7-N,19-N-bis[9-(3,5-ditert-butylphenyl)carbazol-2-yl]-7-N,19-N-diphenyl-10,16-dithiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine has a molecular weight of 1229.72 g/mol, XLogP of 25.90, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N,19-N-bis[9-(3,5-ditert-butylphenyl)carbazol-2-yl]-7-N,19-N-diphenyl-10,16-dithiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine is sourced from PubChem (CID 158854715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).