10-N,21-N,21-N-triphenyl-10-N-spiro[4a,9a-dihydrofluorene-9,9'-thioxanthene]-4-yl-12-oxapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene-10,21-diamine

C63H42N2OS — CID 155484393

IUPAC10-N,21-N,21-N-triphenyl-10-N-spiro[4a,9a-dihydrofluorene-9,9'-thioxanthene]-4-yl-12-oxapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene-10,21-diamine
SMILESC1=CC2C(C(N(c3ccccc3)c3c4ccccc4cc4c3oc3c5ccccc5cc(N(c5ccccc5)c5ccccc5)c43)=C1)c1ccccc1C21c2ccccc2Sc2ccccc21
InChIInChI=1S/C63H42N2OS/c1-4-23-43(24-5-1)64(44-25-6-2-7-26-44)55-40-42-22-11-13-30-47(42)61-59(55)49-39-41-21-10-12-29-46(41)60(62(49)66-61)65(45-27-8-3-9-28-45)54-36-20-35-53-58(54)48-31-14-15-32-50(48)63(53)51-33-16-18-37-56(51)67-57-38-19-17-34-52(57)63/h1-40,53,58H
InChIKeyWVPUAPOBDHLIHO-UHFFFAOYSA-N
MW875.11 g/mol
LogP17.17
Rot. Bonds6

About 10-N,21-N,21-N-triphenyl-10-N-spiro[4a,9a-dihydrofluorene-9,9'-thioxanthene]-4-yl-12-oxapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene-10,21-diamine

10-N,21-N,21-N-triphenyl-10-N-spiro[4a,9a-dihydrofluorene-9,9'-thioxanthene]-4-yl-12-oxapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene-10,21-diamine (PubChem CID 155484393) has the molecular formula C63H42N2OS and a molecular weight of 875.11 g/mol. Its IUPAC name is 10-N,21-N,21-N-triphenyl-10-N-spiro[4a,9a-dihydrofluorene-9,9'-thioxanthene]-4-yl-12-oxapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene-10,21-diamine.

Molecular Properties

Compound Name10-N,21-N,21-N-triphenyl-10-N-spiro[4a,9a-dihydrofluorene-9,9'-thioxanthene]-4-yl-12-oxapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene-10,21-diamine
PubChem CID155484393
Molecular FormulaC63H42N2OS
Molecular Weight875.11 g/mol
Exact Mass874.30
IUPAC Name10-N,21-N,21-N-triphenyl-10-N-spiro[4a,9a-dihydrofluorene-9,9'-thioxanthene]-4-yl-12-oxapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene-10,21-diamine
SMILESC1=CC2C(C(N(c3ccccc3)c3c4ccccc4cc4c3oc3c5ccccc5cc(N(c5ccccc5)c5ccccc5)c43)=C1)c1ccccc1C21c2ccccc2Sc2ccccc21
InChIInChI=1S/C63H42N2OS/c1-4-23-43(24-5-1)64(44-25-6-2-7-26-44)55-40-42-22-11-13-30-47(42)61-59(55)49-39-41-21-10-12-29-46(41)60(62(49)66-61)65(45-27-8-3-9-28-45)54-36-20-35-53-58(54)48-31-14-15-32-50(48)63(53)51-33-16-18-37-56(51)67-57-38-19-17-34-52(57)63/h1-40,53,58H
InChIKeyWVPUAPOBDHLIHO-UHFFFAOYSA-N
XLogP17.17
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500875.11
LogP ≤ 517.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 10-N,21-N,21-N-triphenyl-10-N-spiro[4a,9a-dihydrofluorene-9,9'-thioxanthene]-4-yl-12-oxapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene-10,21-diamine with MolForge

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Related Compounds

3-N',6-N,6-N-triphenyl-3-N'-spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-4'-ylspiro[benzo[c]fluorene-7,9'-fluorene]-3',6-diamine
CID 168775247
3-N',6-N,6-N-triphenyl-3-N'-spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-3'-ylspiro[benzo[c]fluorene-7,9'-fluorene]-3',6-diamine
CID 168775478
10-N,14-N,14-N-triphenyl-10-N-(10-phenylspiro[acridine-9,9'-fluorene]-3-yl)-12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene-10,14-diamine
CID 155483173
N-(9,9-diphenyl-4b,8a-dihydrofluoren-3-yl)-N-phenyl-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-18-amine
CID 171732012
8-N-naphtho[2,1-b][1]benzothiol-5-yl-6-N,6-N,8-N-triphenylnaphtho[1,2-b][1]benzofuran-6,8-diamine
CID 139525359
7-N,9-N,9-N-triphenyl-7-N-spiro[fluorene-9,9'-thioxanthene]-4-ylnaphtho[1,2-b][1]benzofuran-7,9-diamine
CID 155483185
N-(4-phenanthren-9-ylphenyl)-10-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-6-amine
CID 167277671
N-[4-[4-(9,9-dimethylspiro[4a,9a-dihydroanthracene-10,9'-fluorene]-2'-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 146247471
1-N,4-N-di(phenanthren-9-yl)-1-N,4-N-diphenylbenzene-1,4-diamine
CID 59806609
11-N,11-N,23-N,23-N-tetraphenyl-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(24),2(10),4,6,8,11,13,16,18,20,22-undecaene-11,23-diamine
CID 70938435
4-N',4-N',10-N,10-N-tetraphenylspiro[benzo[b]fluorene-11,9'-fluorene]-4',10-diamine
CID 168775348
N,N-diphenylspiro[benzo[a]fluorene-11,9'-thioxanthene]-9-amine
CID 164730946

Frequently Asked Questions

What is the IUPAC name of 10-N,21-N,21-N-triphenyl-10-N-spiro[4a,9a-dihydrofluorene-9,9'-thioxanthene]-4-yl-12-oxapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene-10,21-diamine?
The IUPAC name of 10-N,21-N,21-N-triphenyl-10-N-spiro[4a,9a-dihydrofluorene-9,9'-thioxanthene]-4-yl-12-oxapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene-10,21-diamine (CID 155484393) is 10-N,21-N,21-N-triphenyl-10-N-spiro[4a,9a-dihydrofluorene-9,9'-thioxanthene]-4-yl-12-oxapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene-10,21-diamine.
What is the SMILES notation for 10-N,21-N,21-N-triphenyl-10-N-spiro[4a,9a-dihydrofluorene-9,9'-thioxanthene]-4-yl-12-oxapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene-10,21-diamine?
The canonical SMILES for 10-N,21-N,21-N-triphenyl-10-N-spiro[4a,9a-dihydrofluorene-9,9'-thioxanthene]-4-yl-12-oxapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene-10,21-diamine is C1=CC2C(C(N(c3ccccc3)c3c4ccccc4cc4c3oc3c5ccccc5cc(N(c5ccccc5)c5ccccc5)c43)=C1)c1ccccc1C21c2ccccc2Sc2ccccc21.
What is the InChIKey of 10-N,21-N,21-N-triphenyl-10-N-spiro[4a,9a-dihydrofluorene-9,9'-thioxanthene]-4-yl-12-oxapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene-10,21-diamine?
The InChIKey is WVPUAPOBDHLIHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H42N2OS/c1-4-23-43(24-5-1)64(44-25-6-2-7-26-44)55-40-42-22-11-13-30-47(42)61-59(55)49-39-41-21-10-12-29-46(41)60(62(49)66-61)65(45-27-8-3-9-28-45)54-36-20-35-53-58(54)48-31-14-15-32-50(48)63(53)51-33-16-18-37-56(51)67-57-38-19-17-34-52(57)63/h1-40,53,58H.
What are the key properties of 10-N,21-N,21-N-triphenyl-10-N-spiro[4a,9a-dihydrofluorene-9,9'-thioxanthene]-4-yl-12-oxapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene-10,21-diamine?
10-N,21-N,21-N-triphenyl-10-N-spiro[4a,9a-dihydrofluorene-9,9'-thioxanthene]-4-yl-12-oxapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene-10,21-diamine has a molecular weight of 875.11 g/mol, XLogP of 17.17, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-N,21-N,21-N-triphenyl-10-N-spiro[4a,9a-dihydrofluorene-9,9'-thioxanthene]-4-yl-12-oxapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene-10,21-diamine is sourced from PubChem (CID 155484393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).