6-N,15-N-di(dibenzofuran-2-yl)-6-N,15-N,9,18-tetraphenyl-5,14-dithia-9,18-diazapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene-6,15-diamine

C62H38N4O2S2 — CID 118135748

IUPAC6-N,15-N-di(dibenzofuran-2-yl)-6-N,15-N,9,18-tetraphenyl-5,14-dithia-9,18-diazapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene-6,15-diamine
SMILESc1ccc(N(c2ccc3oc4ccccc4c3c2)c2cc3c(s2)c2cc4c(cc2n3-c2ccccc2)c2sc(N(c3ccccc3)c3ccc5oc6ccccc6c5c3)cc2n4-c2ccccc2)cc1
InChIInChI=1S/C62H38N4O2S2/c1-5-17-39(18-6-1)63(43-29-31-57-47(33-43)45-25-13-15-27-55(45)67-57)59-37-53-61(69-59)49-35-52-50(36-51(49)65(53)41-21-9-3-10-22-41)62-54(66(52)42-23-11-4-12-24-42)38-60(70-62)64(40-19-7-2-8-20-40)44-30-32-58-48(34-44)46-26-14-16-28-56(46)68-58/h1-38H
InChIKeyJIBSVALVEJCZCE-UHFFFAOYSA-N
MW935.15 g/mol
LogP18.74
Rot. Bonds8

About 6-N,15-N-di(dibenzofuran-2-yl)-6-N,15-N,9,18-tetraphenyl-5,14-dithia-9,18-diazapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene-6,15-diamine

6-N,15-N-di(dibenzofuran-2-yl)-6-N,15-N,9,18-tetraphenyl-5,14-dithia-9,18-diazapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene-6,15-diamine (PubChem CID 118135748) has the molecular formula C62H38N4O2S2 and a molecular weight of 935.15 g/mol. Its IUPAC name is 6-N,15-N-di(dibenzofuran-2-yl)-6-N,15-N,9,18-tetraphenyl-5,14-dithia-9,18-diazapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene-6,15-diamine.

Molecular Properties

Compound Name6-N,15-N-di(dibenzofuran-2-yl)-6-N,15-N,9,18-tetraphenyl-5,14-dithia-9,18-diazapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene-6,15-diamine
PubChem CID118135748
Molecular FormulaC62H38N4O2S2
Molecular Weight935.15 g/mol
Exact Mass934.24
IUPAC Name6-N,15-N-di(dibenzofuran-2-yl)-6-N,15-N,9,18-tetraphenyl-5,14-dithia-9,18-diazapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene-6,15-diamine
SMILESc1ccc(N(c2ccc3oc4ccccc4c3c2)c2cc3c(s2)c2cc4c(cc2n3-c2ccccc2)c2sc(N(c3ccccc3)c3ccc5oc6ccccc6c5c3)cc2n4-c2ccccc2)cc1
InChIInChI=1S/C62H38N4O2S2/c1-5-17-39(18-6-1)63(43-29-31-57-47(33-43)45-25-13-15-27-55(45)67-57)59-37-53-61(69-59)49-35-52-50(36-51(49)65(53)41-21-9-3-10-22-41)62-54(66(52)42-23-11-4-12-24-42)38-60(70-62)64(40-19-7-2-8-20-40)44-30-32-58-48(34-44)46-26-14-16-28-56(46)68-58/h1-38H
InChIKeyJIBSVALVEJCZCE-UHFFFAOYSA-N
XLogP18.74
TPSA42.62 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500935.15
LogP ≤ 518.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 6-N,15-N-di(dibenzofuran-2-yl)-6-N,15-N,9,18-tetraphenyl-5,14-dithia-9,18-diazapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene-6,15-diamine with MolForge

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Related Compounds

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CID 118135762
N,N-diphenyldibenzofuran-2-amine
CID 58038469
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CID 118289224
N,9-diphenyl-N-(5,15,25-trioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19,21,23,26-dodecaen-8-yl)carbazol-2-amine
CID 170235145
1-N-phenyl-3-N-[7-(9-phenylcarbazol-2-yl)dibenzofuran-2-yl]-1-N,3-N-bis(4-phenylphenyl)benzene-1,3-diamine
CID 149038189
15-N-phenanthren-9-yl-6-N,6-N,9,18-tetraphenyl-15-N-pyridin-4-yl-5,14-dithia-9,18-diazapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene-6,15-diamine
CID 118135758
5-[7-(N-dibenzofuran-2-ylanilino)-9-phenylcarbazol-3-yl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine
CID 146588588
N-dibenzothiophen-3-yl-N,22-diphenyl-9-oxa-22-azahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaen-18-amine
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N-(4-dibenzofuran-2-ylphenyl)-N-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-4-(4-phenylphenyl)aniline;N-(4-dibenzofuran-2-ylphenyl)-6,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]carbazol-3-amine;N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]-4-(4-phenylphenyl)aniline;9-phenyl-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]carbazol-3-amine
CID 158901637
N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 118462582
5-dibenzofuran-2-yl-1-N,3-N-diphenyl-1-N,3-N-bis(9-phenylcarbazol-2-yl)benzene-1,3-diamine
CID 122634225

Frequently Asked Questions

What is the IUPAC name of 6-N,15-N-di(dibenzofuran-2-yl)-6-N,15-N,9,18-tetraphenyl-5,14-dithia-9,18-diazapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene-6,15-diamine?
The IUPAC name of 6-N,15-N-di(dibenzofuran-2-yl)-6-N,15-N,9,18-tetraphenyl-5,14-dithia-9,18-diazapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene-6,15-diamine (CID 118135748) is 6-N,15-N-di(dibenzofuran-2-yl)-6-N,15-N,9,18-tetraphenyl-5,14-dithia-9,18-diazapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene-6,15-diamine.
What is the SMILES notation for 6-N,15-N-di(dibenzofuran-2-yl)-6-N,15-N,9,18-tetraphenyl-5,14-dithia-9,18-diazapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene-6,15-diamine?
The canonical SMILES for 6-N,15-N-di(dibenzofuran-2-yl)-6-N,15-N,9,18-tetraphenyl-5,14-dithia-9,18-diazapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene-6,15-diamine is c1ccc(N(c2ccc3oc4ccccc4c3c2)c2cc3c(s2)c2cc4c(cc2n3-c2ccccc2)c2sc(N(c3ccccc3)c3ccc5oc6ccccc6c5c3)cc2n4-c2ccccc2)cc1.
What is the InChIKey of 6-N,15-N-di(dibenzofuran-2-yl)-6-N,15-N,9,18-tetraphenyl-5,14-dithia-9,18-diazapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene-6,15-diamine?
The InChIKey is JIBSVALVEJCZCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H38N4O2S2/c1-5-17-39(18-6-1)63(43-29-31-57-47(33-43)45-25-13-15-27-55(45)67-57)59-37-53-61(69-59)49-35-52-50(36-51(49)65(53)41-21-9-3-10-22-41)62-54(66(52)42-23-11-4-12-24-42)38-60(70-62)64(40-19-7-2-8-20-40)44-30-32-58-48(34-44)46-26-14-16-28-56(46)68-58/h1-38H.
What are the key properties of 6-N,15-N-di(dibenzofuran-2-yl)-6-N,15-N,9,18-tetraphenyl-5,14-dithia-9,18-diazapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene-6,15-diamine?
6-N,15-N-di(dibenzofuran-2-yl)-6-N,15-N,9,18-tetraphenyl-5,14-dithia-9,18-diazapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene-6,15-diamine has a molecular weight of 935.15 g/mol, XLogP of 18.74, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,15-N-di(dibenzofuran-2-yl)-6-N,15-N,9,18-tetraphenyl-5,14-dithia-9,18-diazapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene-6,15-diamine is sourced from PubChem (CID 118135748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).