1,3,4,5,6,7,8-heptadeuterio-N-(3-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-9,9-bis(2,3,4,5,6-pentadeuteriophenyl)fluoren-2-amine

C68H45NO — CID 171451031

IUPAC1,3,4,5,6,7,8-heptadeuterio-N-(3-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-9,9-bis(2,3,4,5,6-pentadeuteriophenyl)fluoren-2-amine
SMILES[2H]c1c([2H])c([2H])c(C2(c3c([2H])c([2H])c([2H])c([2H])c3[2H])c3c([2H])c([2H])c([2H])c([2H])c3-c3c([2H])c([2H])c(N(c4cccc(-c5cccc6c5oc5ccccc56)c4)c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)c([2H])c32)c([2H])c1[2H]
InChIInChI=1S/C68H45NO/c1-5-22-47(23-6-1)67(48-24-7-2-8-25-48)61-36-16-13-31-55(61)57-41-39-52(44-63(57)67)69(51-30-19-21-46(43-51)54-34-20-35-60-59-33-15-18-38-65(59)70-66(54)60)53-40-42-58-56-32-14-17-37-62(56)68(64(58)45-53,49-26-9-3-10-27-49)50-28-11-4-12-29-50/h1-45H/i1D,2D,5D,6D,7D,8D,13D,16D,22D,23D,24D,25D,31D,36D,39D,41D,44D
InChIKeyJSOCYQVUSNMCMF-LDCNLKEGSA-N
MW909.22 g/mol
LogP17.45
Rot. Bonds8

About 1,3,4,5,6,7,8-heptadeuterio-N-(3-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-9,9-bis(2,3,4,5,6-pentadeuteriophenyl)fluoren-2-amine

1,3,4,5,6,7,8-heptadeuterio-N-(3-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-9,9-bis(2,3,4,5,6-pentadeuteriophenyl)fluoren-2-amine (PubChem CID 171451031) has the molecular formula C68H45NO and a molecular weight of 909.22 g/mol. Its IUPAC name is 1,3,4,5,6,7,8-heptadeuterio-N-(3-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-9,9-bis(2,3,4,5,6-pentadeuteriophenyl)fluoren-2-amine.

Molecular Properties

Compound Name1,3,4,5,6,7,8-heptadeuterio-N-(3-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-9,9-bis(2,3,4,5,6-pentadeuteriophenyl)fluoren-2-amine
PubChem CID171451031
Molecular FormulaC68H45NO
Molecular Weight909.22 g/mol
Exact Mass908.46
IUPAC Name1,3,4,5,6,7,8-heptadeuterio-N-(3-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-9,9-bis(2,3,4,5,6-pentadeuteriophenyl)fluoren-2-amine
SMILES[2H]c1c([2H])c([2H])c(C2(c3c([2H])c([2H])c([2H])c([2H])c3[2H])c3c([2H])c([2H])c([2H])c([2H])c3-c3c([2H])c([2H])c(N(c4cccc(-c5cccc6c5oc5ccccc56)c4)c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)c([2H])c32)c([2H])c1[2H]
InChIInChI=1S/C68H45NO/c1-5-22-47(23-6-1)67(48-24-7-2-8-25-48)61-36-16-13-31-55(61)57-41-39-52(44-63(57)67)69(51-30-19-21-46(43-51)54-34-20-35-60-59-33-15-18-38-65(59)70-66(54)60)53-40-42-58-56-32-14-17-37-62(56)68(64(58)45-53,49-26-9-3-10-27-49)50-28-11-4-12-29-50/h1-45H/i1D,2D,5D,6D,7D,8D,13D,16D,22D,23D,24D,25D,31D,36D,39D,41D,44D
InChIKeyJSOCYQVUSNMCMF-LDCNLKEGSA-N
XLogP17.45
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500909.22
LogP ≤ 517.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1,3,4,5,6,7,8-heptadeuterio-N-(3-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-9,9-bis(2,3,4,5,6-pentadeuteriophenyl)fluoren-2-amine with MolForge

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Related Compounds

9,9-diphenyl-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-4-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 171452548
N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-(3-phenylphenyl)fluoren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-[3-(2-phenylphenyl)phenyl]fluoren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-[3-(3-phenylphenyl)phenyl]fluoren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 161367411
9,9-diphenyl-N-(2-phenylphenyl)-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-4-ylphenyl)fluoren-2-amine
CID 171452110
N-[4-[3,5-di(dibenzofuran-4-yl)phenyl]phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 121383311
N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-(2-phenylphenyl)fluoren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-(3-phenylphenyl)fluoren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 158287693
N-[4-[9-(4-dibenzofuran-4-ylphenyl)-9-phenylfluoren-2-yl]phenyl]-N,4-diphenylaniline
CID 164769137
N-(3-dibenzofuran-4-ylphenyl)-3-[4-(9,9-diphenylfluoren-3-yl)phenyl]-N-phenylaniline
CID 168839908
3-dibenzofuran-4-yl-N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline
CID 121381580
N-(3-dibenzofuran-4-ylphenyl)-N-(5-naphthalen-1-yl-2-phenylphenyl)-9,9-diphenylfluoren-2-amine
CID 167234337
N-(3-dibenzofuran-4-ylphenyl)-N,9,9-triphenylfluoren-2-amine;N-(3-dibenzothiophen-4-ylphenyl)-N,9,9-triphenylfluoren-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-phenyldibenzofuran-4-amine;N-(9,9-diphenylfluoren-2-yl)-N-phenyldibenzothiophen-4-amine
CID 162115385
N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)-6-[6-[3-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]dibenzofuran-3-yl]triphenylen-2-amine
CID 137492501
N-[4-[9-(4-dibenzofuran-4-ylphenyl)-9-phenylfluoren-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 164768992

Frequently Asked Questions

What is the IUPAC name of 1,3,4,5,6,7,8-heptadeuterio-N-(3-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-9,9-bis(2,3,4,5,6-pentadeuteriophenyl)fluoren-2-amine?
The IUPAC name of 1,3,4,5,6,7,8-heptadeuterio-N-(3-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-9,9-bis(2,3,4,5,6-pentadeuteriophenyl)fluoren-2-amine (CID 171451031) is 1,3,4,5,6,7,8-heptadeuterio-N-(3-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-9,9-bis(2,3,4,5,6-pentadeuteriophenyl)fluoren-2-amine.
What is the SMILES notation for 1,3,4,5,6,7,8-heptadeuterio-N-(3-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-9,9-bis(2,3,4,5,6-pentadeuteriophenyl)fluoren-2-amine?
The canonical SMILES for 1,3,4,5,6,7,8-heptadeuterio-N-(3-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-9,9-bis(2,3,4,5,6-pentadeuteriophenyl)fluoren-2-amine is [2H]c1c([2H])c([2H])c(C2(c3c([2H])c([2H])c([2H])c([2H])c3[2H])c3c([2H])c([2H])c([2H])c([2H])c3-c3c([2H])c([2H])c(N(c4cccc(-c5cccc6c5oc5ccccc56)c4)c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)c([2H])c32)c([2H])c1[2H].
What is the InChIKey of 1,3,4,5,6,7,8-heptadeuterio-N-(3-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-9,9-bis(2,3,4,5,6-pentadeuteriophenyl)fluoren-2-amine?
The InChIKey is JSOCYQVUSNMCMF-LDCNLKEGSA-N. The full InChI is InChI=1S/C68H45NO/c1-5-22-47(23-6-1)67(48-24-7-2-8-25-48)61-36-16-13-31-55(61)57-41-39-52(44-63(57)67)69(51-30-19-21-46(43-51)54-34-20-35-60-59-33-15-18-38-65(59)70-66(54)60)53-40-42-58-56-32-14-17-37-62(56)68(64(58)45-53,49-26-9-3-10-27-49)50-28-11-4-12-29-50/h1-45H/i1D,2D,5D,6D,7D,8D,13D,16D,22D,23D,24D,25D,31D,36D,39D,41D,44D.
What are the key properties of 1,3,4,5,6,7,8-heptadeuterio-N-(3-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-9,9-bis(2,3,4,5,6-pentadeuteriophenyl)fluoren-2-amine?
1,3,4,5,6,7,8-heptadeuterio-N-(3-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-9,9-bis(2,3,4,5,6-pentadeuteriophenyl)fluoren-2-amine has a molecular weight of 909.22 g/mol, XLogP of 17.45, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4,5,6,7,8-heptadeuterio-N-(3-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-9,9-bis(2,3,4,5,6-pentadeuteriophenyl)fluoren-2-amine is sourced from PubChem (CID 171451031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).