10-cyclohexa-1,5-dien-1-yl-N-(2,4-diphenylphenyl)-10-phenyl-N-(4-phenylphenyl)-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,5,7,11,15(20),16,18-octaen-17-amine

C61H45NO2 — CID 138582736

IUPAC10-cyclohexa-1,5-dien-1-yl-N-(2,4-diphenylphenyl)-10-phenyl-N-(4-phenylphenyl)-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,5,7,11,15(20),16,18-octaen-17-amine
SMILESC1=CC2c3cc4c(cc3C(C3=CCCC=C3)(c3ccccc3)C2C=C1)Oc1cc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccccc3)cc2-c2ccccc2)ccc1O4
InChIInChI=1S/C61H45NO2/c1-6-18-42(19-7-1)44-30-33-49(34-31-44)62(56-36-32-46(43-20-8-2-9-21-43)38-52(56)45-22-10-3-11-23-45)50-35-37-57-58(39-50)64-60-41-55-53(40-59(60)63-57)51-28-16-17-29-54(51)61(55,47-24-12-4-13-25-47)48-26-14-5-15-27-48/h1-4,6-14,16-41,51,54H,5,15H2
InChIKeyRLKARTPFCBQDMY-UHFFFAOYSA-N
MW824.04 g/mol
LogP16.46
Rot. Bonds8

About 10-cyclohexa-1,5-dien-1-yl-N-(2,4-diphenylphenyl)-10-phenyl-N-(4-phenylphenyl)-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,5,7,11,15(20),16,18-octaen-17-amine

10-cyclohexa-1,5-dien-1-yl-N-(2,4-diphenylphenyl)-10-phenyl-N-(4-phenylphenyl)-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,5,7,11,15(20),16,18-octaen-17-amine (PubChem CID 138582736) has the molecular formula C61H45NO2 and a molecular weight of 824.04 g/mol. Its IUPAC name is 10-cyclohexa-1,5-dien-1-yl-N-(2,4-diphenylphenyl)-10-phenyl-N-(4-phenylphenyl)-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,5,7,11,15(20),16,18-octaen-17-amine.

Molecular Properties

Compound Name10-cyclohexa-1,5-dien-1-yl-N-(2,4-diphenylphenyl)-10-phenyl-N-(4-phenylphenyl)-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,5,7,11,15(20),16,18-octaen-17-amine
PubChem CID138582736
Molecular FormulaC61H45NO2
Molecular Weight824.04 g/mol
Exact Mass823.35
IUPAC Name10-cyclohexa-1,5-dien-1-yl-N-(2,4-diphenylphenyl)-10-phenyl-N-(4-phenylphenyl)-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,5,7,11,15(20),16,18-octaen-17-amine
SMILESC1=CC2c3cc4c(cc3C(C3=CCCC=C3)(c3ccccc3)C2C=C1)Oc1cc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccccc3)cc2-c2ccccc2)ccc1O4
InChIInChI=1S/C61H45NO2/c1-6-18-42(19-7-1)44-30-33-49(34-31-44)62(56-36-32-46(43-20-8-2-9-21-43)38-52(56)45-22-10-3-11-23-45)50-35-37-57-58(39-50)64-60-41-55-53(40-59(60)63-57)51-28-16-17-29-54(51)61(55,47-24-12-4-13-25-47)48-26-14-5-15-27-48/h1-4,6-14,16-41,51,54H,5,15H2
InChIKeyRLKARTPFCBQDMY-UHFFFAOYSA-N
XLogP16.46
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500824.04
LogP ≤ 516.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 10-cyclohexa-1,5-dien-1-yl-N-(2,4-diphenylphenyl)-10-phenyl-N-(4-phenylphenyl)-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,5,7,11,15(20),16,18-octaen-17-amine with MolForge

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Related Compounds

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N-(2,4-diphenylphenyl)-N-phenylspiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-3'-amine
CID 138582107
9-cyclohexa-1,5-dien-1-yl-N-[4-[4-(2,5-diphenylphenyl)phenyl]phenyl]-N,9-diphenylfluoren-2-amine
CID 167297491
2-phenyl-N,N,4-tris(4-phenylphenyl)aniline
CID 155123029
N,2,4-triphenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 122419765
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CID 174252364
N-[4-[3-(9H-carbazol-3-yl)phenyl]phenyl]-N-naphthalen-2-yl-9,9-diphenyl-4b,8a-dihydrofluoren-2-amine
CID 144640230
N-cyclohexa-1,3-dien-1-yl-N-(4-phenylphenyl)spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,11,15(20),16,18-octaene-10,9'-fluorene]-18-amine
CID 138581498
2-phenyl-N-(4-phenylphenyl)-N-(2-spiro[1,2-dihydrofluorene-9,10'-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,11,15(20),16,18-octaene]-17'-ylphenyl)aniline
CID 138581234
2,4-diphenyl-N-(4-phenylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline
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CID 166906518

Frequently Asked Questions

What is the IUPAC name of 10-cyclohexa-1,5-dien-1-yl-N-(2,4-diphenylphenyl)-10-phenyl-N-(4-phenylphenyl)-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,5,7,11,15(20),16,18-octaen-17-amine?
The IUPAC name of 10-cyclohexa-1,5-dien-1-yl-N-(2,4-diphenylphenyl)-10-phenyl-N-(4-phenylphenyl)-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,5,7,11,15(20),16,18-octaen-17-amine (CID 138582736) is 10-cyclohexa-1,5-dien-1-yl-N-(2,4-diphenylphenyl)-10-phenyl-N-(4-phenylphenyl)-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,5,7,11,15(20),16,18-octaen-17-amine.
What is the SMILES notation for 10-cyclohexa-1,5-dien-1-yl-N-(2,4-diphenylphenyl)-10-phenyl-N-(4-phenylphenyl)-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,5,7,11,15(20),16,18-octaen-17-amine?
The canonical SMILES for 10-cyclohexa-1,5-dien-1-yl-N-(2,4-diphenylphenyl)-10-phenyl-N-(4-phenylphenyl)-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,5,7,11,15(20),16,18-octaen-17-amine is C1=CC2c3cc4c(cc3C(C3=CCCC=C3)(c3ccccc3)C2C=C1)Oc1cc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccccc3)cc2-c2ccccc2)ccc1O4.
What is the InChIKey of 10-cyclohexa-1,5-dien-1-yl-N-(2,4-diphenylphenyl)-10-phenyl-N-(4-phenylphenyl)-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,5,7,11,15(20),16,18-octaen-17-amine?
The InChIKey is RLKARTPFCBQDMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H45NO2/c1-6-18-42(19-7-1)44-30-33-49(34-31-44)62(56-36-32-46(43-20-8-2-9-21-43)38-52(56)45-22-10-3-11-23-45)50-35-37-57-58(39-50)64-60-41-55-53(40-59(60)63-57)51-28-16-17-29-54(51)61(55,47-24-12-4-13-25-47)48-26-14-5-15-27-48/h1-4,6-14,16-41,51,54H,5,15H2.
What are the key properties of 10-cyclohexa-1,5-dien-1-yl-N-(2,4-diphenylphenyl)-10-phenyl-N-(4-phenylphenyl)-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,5,7,11,15(20),16,18-octaen-17-amine?
10-cyclohexa-1,5-dien-1-yl-N-(2,4-diphenylphenyl)-10-phenyl-N-(4-phenylphenyl)-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,5,7,11,15(20),16,18-octaen-17-amine has a molecular weight of 824.04 g/mol, XLogP of 16.46, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-cyclohexa-1,5-dien-1-yl-N-(2,4-diphenylphenyl)-10-phenyl-N-(4-phenylphenyl)-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,5,7,11,15(20),16,18-octaen-17-amine is sourced from PubChem (CID 138582736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).