1,2,3,5,6,7,8-heptadeuterio-N-(9,9-dimethylfluoren-2-yl)-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-9,9-diphenylfluoren-4-amine

C62H43NO — CID 177121585

IUPAC1,2,3,5,6,7,8-heptadeuterio-N-(9,9-dimethylfluoren-2-yl)-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-9,9-diphenylfluoren-4-amine
SMILES[2H]c1c([2H])c([2H])c2c(c1[2H])-c1c(N(c3ccc(-c4cccc5c4oc4c6ccccc6ccc54)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)c([2H])c([2H])c([2H])c1C2(c1ccccc1)c1ccccc1
InChIInChI=1S/C62H43NO/c1-61(2)53-27-13-11-23-48(53)49-38-36-45(39-56(49)61)63(44-34-31-41(32-35-44)47-25-15-26-50-51-37-33-40-17-9-10-22-46(40)60(51)64-59(47)50)57-30-16-29-55-58(57)52-24-12-14-28-54(52)62(55,42-18-5-3-6-19-42)43-20-7-4-8-21-43/h3-39H,1-2H3/i12D,14D,16D,24D,28D,29D,30D
InChIKeyULSWCFBMXQKCLQ-UCTFXECESA-N
MW825.07 g/mol
LogP16.55
Rot. Bonds6

About 1,2,3,5,6,7,8-heptadeuterio-N-(9,9-dimethylfluoren-2-yl)-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-9,9-diphenylfluoren-4-amine

1,2,3,5,6,7,8-heptadeuterio-N-(9,9-dimethylfluoren-2-yl)-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-9,9-diphenylfluoren-4-amine (PubChem CID 177121585) has the molecular formula C62H43NO and a molecular weight of 825.07 g/mol. Its IUPAC name is 1,2,3,5,6,7,8-heptadeuterio-N-(9,9-dimethylfluoren-2-yl)-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-9,9-diphenylfluoren-4-amine.

Molecular Properties

Compound Name1,2,3,5,6,7,8-heptadeuterio-N-(9,9-dimethylfluoren-2-yl)-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-9,9-diphenylfluoren-4-amine
PubChem CID177121585
Molecular FormulaC62H43NO
Molecular Weight825.07 g/mol
Exact Mass824.38
IUPAC Name1,2,3,5,6,7,8-heptadeuterio-N-(9,9-dimethylfluoren-2-yl)-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-9,9-diphenylfluoren-4-amine
SMILES[2H]c1c([2H])c([2H])c2c(c1[2H])-c1c(N(c3ccc(-c4cccc5c4oc4c6ccccc6ccc54)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)c([2H])c([2H])c([2H])c1C2(c1ccccc1)c1ccccc1
InChIInChI=1S/C62H43NO/c1-61(2)53-27-13-11-23-48(53)49-38-36-45(39-56(49)61)63(44-34-31-41(32-35-44)47-25-15-26-50-51-37-33-40-17-9-10-22-46(40)60(51)64-59(47)50)57-30-16-29-55-58(57)52-24-12-14-28-54(52)62(55,42-18-5-3-6-19-42)43-20-7-4-8-21-43/h3-39H,1-2H3/i12D,14D,16D,24D,28D,29D,30D
InChIKeyULSWCFBMXQKCLQ-UCTFXECESA-N
XLogP16.55
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500825.07
LogP ≤ 516.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1,2,3,5,6,7,8-heptadeuterio-N-(9,9-dimethylfluoren-2-yl)-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-9,9-diphenylfluoren-4-amine with MolForge

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Related Compounds

N-(9,9-diphenylfluoren-4-yl)-9,9-dimethyl-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)fluoren-4-amine
CID 177121861
N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-N,9,9-triphenylfluoren-2-amine
CID 177121964
9,9-dimethyl-N-[4-(3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaen-5-yl)phenyl]-N-phenylfluoren-2-amine
CID 130466783
9,9-dimethyl-N-[4-(3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaen-5-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 130466784
N,N-bis(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 177121766
9,9-dimethyl-N-[4-[6-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-4-yl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 164724626
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 177122286
N-(9,9-dimethylfluoren-2-yl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine
CID 177122285
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-10-phenylnaphtho[1,2-b][1]benzofuran-8-amine
CID 170239526
9,9-dimethyl-N-[4-[10-(2,3,4,5,6-pentadeuteriophenyl)naphtho[1,2-b][1]benzofuran-7-yl]naphthalen-1-yl]-N-(4-phenylphenyl)fluoren-2-amine
CID 170675074
N-(9,9-diphenylfluoren-2-yl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine
CID 177121378
N-(9,9-diphenylfluoren-4-yl)-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)naphtho[1,2-b][1]benzofuran-9-amine
CID 177121793

Frequently Asked Questions

What is the IUPAC name of 1,2,3,5,6,7,8-heptadeuterio-N-(9,9-dimethylfluoren-2-yl)-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-9,9-diphenylfluoren-4-amine?
The IUPAC name of 1,2,3,5,6,7,8-heptadeuterio-N-(9,9-dimethylfluoren-2-yl)-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-9,9-diphenylfluoren-4-amine (CID 177121585) is 1,2,3,5,6,7,8-heptadeuterio-N-(9,9-dimethylfluoren-2-yl)-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-9,9-diphenylfluoren-4-amine.
What is the SMILES notation for 1,2,3,5,6,7,8-heptadeuterio-N-(9,9-dimethylfluoren-2-yl)-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-9,9-diphenylfluoren-4-amine?
The canonical SMILES for 1,2,3,5,6,7,8-heptadeuterio-N-(9,9-dimethylfluoren-2-yl)-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-9,9-diphenylfluoren-4-amine is [2H]c1c([2H])c([2H])c2c(c1[2H])-c1c(N(c3ccc(-c4cccc5c4oc4c6ccccc6ccc54)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)c([2H])c([2H])c([2H])c1C2(c1ccccc1)c1ccccc1.
What is the InChIKey of 1,2,3,5,6,7,8-heptadeuterio-N-(9,9-dimethylfluoren-2-yl)-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-9,9-diphenylfluoren-4-amine?
The InChIKey is ULSWCFBMXQKCLQ-UCTFXECESA-N. The full InChI is InChI=1S/C62H43NO/c1-61(2)53-27-13-11-23-48(53)49-38-36-45(39-56(49)61)63(44-34-31-41(32-35-44)47-25-15-26-50-51-37-33-40-17-9-10-22-46(40)60(51)64-59(47)50)57-30-16-29-55-58(57)52-24-12-14-28-54(52)62(55,42-18-5-3-6-19-42)43-20-7-4-8-21-43/h3-39H,1-2H3/i12D,14D,16D,24D,28D,29D,30D.
What are the key properties of 1,2,3,5,6,7,8-heptadeuterio-N-(9,9-dimethylfluoren-2-yl)-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-9,9-diphenylfluoren-4-amine?
1,2,3,5,6,7,8-heptadeuterio-N-(9,9-dimethylfluoren-2-yl)-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-9,9-diphenylfluoren-4-amine has a molecular weight of 825.07 g/mol, XLogP of 16.55, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,5,6,7,8-heptadeuterio-N-(9,9-dimethylfluoren-2-yl)-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-9,9-diphenylfluoren-4-amine is sourced from PubChem (CID 177121585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).