N-(3-cyclohexa-2,4-dien-1-ylphenyl)-3-methyl-N-[3-(3-phenylphenyl)phenyl]spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,4,6,8,12,15(20),16-heptaene-10,9'-fluorene]-18-amine

C62H47NO2 — CID 138582057

IUPACN-(3-cyclohexa-2,4-dien-1-ylphenyl)-3-methyl-N-[3-(3-phenylphenyl)phenyl]spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,4,6,8,12,15(20),16-heptaene-10,9'-fluorene]-18-amine
SMILESCC12C=C3OC4=C(C=CC(N(c5cccc(-c6cccc(-c7ccccc7)c6)c5)c5cccc(C6C=CC=CC6)c5)C4)OC3=CC1C1(c3ccccc3-c3ccccc31)c1ccccc12
InChIInChI=1S/C62H47NO2/c1-61-40-59-58(39-60(61)62(55-32-13-12-31-54(55)61)52-29-10-8-27-50(52)51-28-9-11-30-53(51)62)64-56-34-33-49(38-57(56)65-59)63(47-25-15-23-45(36-47)42-19-6-3-7-20-42)48-26-16-24-46(37-48)44-22-14-21-43(35-44)41-17-4-2-5-18-41/h2-19,21-37,39-40,42,49,60H,20,38H2,1H3
InChIKeyYIBBDFROVWEEDD-UHFFFAOYSA-N
MW838.06 g/mol
LogP15.03
Rot. Bonds6

About N-(3-cyclohexa-2,4-dien-1-ylphenyl)-3-methyl-N-[3-(3-phenylphenyl)phenyl]spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,4,6,8,12,15(20),16-heptaene-10,9'-fluorene]-18-amine

N-(3-cyclohexa-2,4-dien-1-ylphenyl)-3-methyl-N-[3-(3-phenylphenyl)phenyl]spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,4,6,8,12,15(20),16-heptaene-10,9'-fluorene]-18-amine (PubChem CID 138582057) has the molecular formula C62H47NO2 and a molecular weight of 838.06 g/mol. Its IUPAC name is N-(3-cyclohexa-2,4-dien-1-ylphenyl)-3-methyl-N-[3-(3-phenylphenyl)phenyl]spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,4,6,8,12,15(20),16-heptaene-10,9'-fluorene]-18-amine.

Molecular Properties

Compound NameN-(3-cyclohexa-2,4-dien-1-ylphenyl)-3-methyl-N-[3-(3-phenylphenyl)phenyl]spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,4,6,8,12,15(20),16-heptaene-10,9'-fluorene]-18-amine
PubChem CID138582057
Molecular FormulaC62H47NO2
Molecular Weight838.06 g/mol
Exact Mass837.36
IUPAC NameN-(3-cyclohexa-2,4-dien-1-ylphenyl)-3-methyl-N-[3-(3-phenylphenyl)phenyl]spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,4,6,8,12,15(20),16-heptaene-10,9'-fluorene]-18-amine
SMILESCC12C=C3OC4=C(C=CC(N(c5cccc(-c6cccc(-c7ccccc7)c6)c5)c5cccc(C6C=CC=CC6)c5)C4)OC3=CC1C1(c3ccccc3-c3ccccc31)c1ccccc12
InChIInChI=1S/C62H47NO2/c1-61-40-59-58(39-60(61)62(55-32-13-12-31-54(55)61)52-29-10-8-27-50(52)51-28-9-11-30-53(51)62)64-56-34-33-49(38-57(56)65-59)63(47-25-15-23-45(36-47)42-19-6-3-7-20-42)48-26-16-24-46(37-48)44-22-14-21-43(35-44)41-17-4-2-5-18-41/h2-19,21-37,39-40,42,49,60H,20,38H2,1H3
InChIKeyYIBBDFROVWEEDD-UHFFFAOYSA-N
XLogP15.03
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500838.06
LogP ≤ 515.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(3-cyclohexa-2,4-dien-1-ylphenyl)-3-methyl-N-[3-(3-phenylphenyl)phenyl]spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,4,6,8,12,15(20),16-heptaene-10,9'-fluorene]-18-amine with MolForge

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Related Compounds

N-(4-cyclohexa-2,4-dien-1-ylcyclohexa-2,4-dien-1-yl)-9,9-dimethyl-7-(3-methylphenyl)-N-(4-phenylphenyl)fluoren-2-amine
CID 138714538
N-(4-cyclohexa-2,4-dien-1-ylcyclohexa-2,4-dien-1-yl)-N-[4-[2-methyl-3-(2-methylphenyl)phenyl]phenyl]-4-phenylaniline
CID 145377407
N-[3-(7-cyclohexa-2,4-dien-1-yl-5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 167253532
N-(9,9-dimethylfluoren-2-yl)-N,2',7'-triphenylspiro[1,2-dihydrofluorene-9,9'-xanthene]-2-amine
CID 170242116
2-cyclohexa-2,4-dien-1-yl-8-phenyl-10-(9,9'-spirobi[fluorene]-2-yl)phenoxazine
CID 126612077
N-[9-(5-cyclohexa-2,4-dien-1-yl-2-phenylphenyl)-9-phenylfluoren-2-yl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine
CID 154957217
N-(3-cyclohexa-2,4-dien-1-yl-5-phenylphenyl)-N-(9,9-dimethylfluoren-2-yl)-5-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-9-amine
CID 155440841
2-cyclohexa-2,4-dien-1-yl-4-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine
CID 155443482
4-cyclohexa-2,4-dien-1-yl-N-[4-(14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,11,15,17,19-octaen-7-yl)phenyl]-N-(4-phenylphenyl)aniline
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2-[3-[3-(3-cyclohexa-2,4-dien-1-ylphenyl)phenyl]phenyl]-1-methyl-2H-azete
CID 145197061
2-cyclohexa-2,4-dien-1-yl-5-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 123766277
N-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 155114303

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclohexa-2,4-dien-1-ylphenyl)-3-methyl-N-[3-(3-phenylphenyl)phenyl]spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,4,6,8,12,15(20),16-heptaene-10,9'-fluorene]-18-amine?
The IUPAC name of N-(3-cyclohexa-2,4-dien-1-ylphenyl)-3-methyl-N-[3-(3-phenylphenyl)phenyl]spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,4,6,8,12,15(20),16-heptaene-10,9'-fluorene]-18-amine (CID 138582057) is N-(3-cyclohexa-2,4-dien-1-ylphenyl)-3-methyl-N-[3-(3-phenylphenyl)phenyl]spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,4,6,8,12,15(20),16-heptaene-10,9'-fluorene]-18-amine.
What is the SMILES notation for N-(3-cyclohexa-2,4-dien-1-ylphenyl)-3-methyl-N-[3-(3-phenylphenyl)phenyl]spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,4,6,8,12,15(20),16-heptaene-10,9'-fluorene]-18-amine?
The canonical SMILES for N-(3-cyclohexa-2,4-dien-1-ylphenyl)-3-methyl-N-[3-(3-phenylphenyl)phenyl]spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,4,6,8,12,15(20),16-heptaene-10,9'-fluorene]-18-amine is CC12C=C3OC4=C(C=CC(N(c5cccc(-c6cccc(-c7ccccc7)c6)c5)c5cccc(C6C=CC=CC6)c5)C4)OC3=CC1C1(c3ccccc3-c3ccccc31)c1ccccc12.
What is the InChIKey of N-(3-cyclohexa-2,4-dien-1-ylphenyl)-3-methyl-N-[3-(3-phenylphenyl)phenyl]spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,4,6,8,12,15(20),16-heptaene-10,9'-fluorene]-18-amine?
The InChIKey is YIBBDFROVWEEDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H47NO2/c1-61-40-59-58(39-60(61)62(55-32-13-12-31-54(55)61)52-29-10-8-27-50(52)51-28-9-11-30-53(51)62)64-56-34-33-49(38-57(56)65-59)63(47-25-15-23-45(36-47)42-19-6-3-7-20-42)48-26-16-24-46(37-48)44-22-14-21-43(35-44)41-17-4-2-5-18-41/h2-19,21-37,39-40,42,49,60H,20,38H2,1H3.
What are the key properties of N-(3-cyclohexa-2,4-dien-1-ylphenyl)-3-methyl-N-[3-(3-phenylphenyl)phenyl]spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,4,6,8,12,15(20),16-heptaene-10,9'-fluorene]-18-amine?
N-(3-cyclohexa-2,4-dien-1-ylphenyl)-3-methyl-N-[3-(3-phenylphenyl)phenyl]spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,4,6,8,12,15(20),16-heptaene-10,9'-fluorene]-18-amine has a molecular weight of 838.06 g/mol, XLogP of 15.03, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclohexa-2,4-dien-1-ylphenyl)-3-methyl-N-[3-(3-phenylphenyl)phenyl]spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,4,6,8,12,15(20),16-heptaene-10,9'-fluorene]-18-amine is sourced from PubChem (CID 138582057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).