6-N,18-N-bis(9H-fluoren-1-yl)-6-N,18-N-bis(4-methylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine

C60H42N2S — CID 162703229

IUPAC6-N,18-N-bis(9H-fluoren-1-yl)-6-N,18-N-bis(4-methylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine
SMILESCc1ccc(N(c2ccc3c(ccc4sc5ccc6cc(N(c7ccc(C)cc7)c7cccc8c7Cc7ccccc7-8)ccc6c5c43)c2)c2cccc3c2Cc2ccccc2-3)cc1
InChIInChI=1S/C60H42N2S/c1-37-17-23-43(24-18-37)61(55-15-7-13-51-47-11-5-3-9-39(47)35-53(51)55)45-27-29-49-41(33-45)21-31-57-59(49)60-50-30-28-46(34-42(50)22-32-58(60)63-57)62(44-25-19-38(2)20-26-44)56-16-8-14-52-48-12-6-4-10-40(48)36-54(52)56/h3-34H,35-36H2,1-2H3
InChIKeyUCBVGZSTISKMNP-UHFFFAOYSA-N
MW823.08 g/mol
LogP17.06
Rot. Bonds6

About 6-N,18-N-bis(9H-fluoren-1-yl)-6-N,18-N-bis(4-methylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine

6-N,18-N-bis(9H-fluoren-1-yl)-6-N,18-N-bis(4-methylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine (PubChem CID 162703229) has the molecular formula C60H42N2S and a molecular weight of 823.08 g/mol. Its IUPAC name is 6-N,18-N-bis(9H-fluoren-1-yl)-6-N,18-N-bis(4-methylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine.

Molecular Properties

Compound Name6-N,18-N-bis(9H-fluoren-1-yl)-6-N,18-N-bis(4-methylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine
PubChem CID162703229
Molecular FormulaC60H42N2S
Molecular Weight823.08 g/mol
Exact Mass822.31
IUPAC Name6-N,18-N-bis(9H-fluoren-1-yl)-6-N,18-N-bis(4-methylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine
SMILESCc1ccc(N(c2ccc3c(ccc4sc5ccc6cc(N(c7ccc(C)cc7)c7cccc8c7Cc7ccccc7-8)ccc6c5c43)c2)c2cccc3c2Cc2ccccc2-3)cc1
InChIInChI=1S/C60H42N2S/c1-37-17-23-43(24-18-37)61(55-15-7-13-51-47-11-5-3-9-39(47)35-53(51)55)45-27-29-49-41(33-45)21-31-57-59(49)60-50-30-28-46(34-42(50)22-32-58(60)63-57)62(44-25-19-38(2)20-26-44)56-16-8-14-52-48-12-6-4-10-40(48)36-54(52)56/h3-34H,35-36H2,1-2H3
InChIKeyUCBVGZSTISKMNP-UHFFFAOYSA-N
XLogP17.06
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500823.08
LogP ≤ 517.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-N,18-N-bis(9H-fluoren-1-yl)-6-N,18-N-bis(4-methylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine with MolForge

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Related Compounds

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CID 151225285
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CID 158984824
N-(4-naphthalen-1-ylphenyl)-N-naphtho[2,1-b][1]benzothiol-3-yldibenzofuran-1-amine
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CID 90263564

Frequently Asked Questions

What is the IUPAC name of 6-N,18-N-bis(9H-fluoren-1-yl)-6-N,18-N-bis(4-methylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine?
The IUPAC name of 6-N,18-N-bis(9H-fluoren-1-yl)-6-N,18-N-bis(4-methylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine (CID 162703229) is 6-N,18-N-bis(9H-fluoren-1-yl)-6-N,18-N-bis(4-methylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine.
What is the SMILES notation for 6-N,18-N-bis(9H-fluoren-1-yl)-6-N,18-N-bis(4-methylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine?
The canonical SMILES for 6-N,18-N-bis(9H-fluoren-1-yl)-6-N,18-N-bis(4-methylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine is Cc1ccc(N(c2ccc3c(ccc4sc5ccc6cc(N(c7ccc(C)cc7)c7cccc8c7Cc7ccccc7-8)ccc6c5c43)c2)c2cccc3c2Cc2ccccc2-3)cc1.
What is the InChIKey of 6-N,18-N-bis(9H-fluoren-1-yl)-6-N,18-N-bis(4-methylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine?
The InChIKey is UCBVGZSTISKMNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H42N2S/c1-37-17-23-43(24-18-37)61(55-15-7-13-51-47-11-5-3-9-39(47)35-53(51)55)45-27-29-49-41(33-45)21-31-57-59(49)60-50-30-28-46(34-42(50)22-32-58(60)63-57)62(44-25-19-38(2)20-26-44)56-16-8-14-52-48-12-6-4-10-40(48)36-54(52)56/h3-34H,35-36H2,1-2H3.
What are the key properties of 6-N,18-N-bis(9H-fluoren-1-yl)-6-N,18-N-bis(4-methylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine?
6-N,18-N-bis(9H-fluoren-1-yl)-6-N,18-N-bis(4-methylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine has a molecular weight of 823.08 g/mol, XLogP of 17.06, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,18-N-bis(9H-fluoren-1-yl)-6-N,18-N-bis(4-methylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine is sourced from PubChem (CID 162703229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).