5-(1-adamantyl)-N-dibenzofuran-3-yl-9-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]carbazol-3-amine

C62H48N2O — CID 169028688

IUPAC5-(1-adamantyl)-N-dibenzofuran-3-yl-9-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]carbazol-3-amine
SMILESc1ccc(-c2cccc3cccc(-c4ccc(N(c5ccc6c(c5)oc5ccccc56)c5ccc6c(c5)c5c(C78CC9CC(CC(C9)C7)C8)cccc5n6-c5ccccc5)cc4)c23)cc1
InChIInChI=1S/C62H48N2O/c1-3-12-43(13-4-1)50-19-9-14-45-15-10-20-51(60(45)50)44-24-26-47(27-25-44)63(49-28-30-53-52-18-7-8-23-58(52)65-59(53)36-49)48-29-31-56-54(35-48)61-55(62-37-40-32-41(38-62)34-42(33-40)39-62)21-11-22-57(61)64(56)46-16-5-2-6-17-46/h1-31,35-36,40-42H,32-34,37-39H2
InChIKeyOVYQDXRLNVLAQJ-UHFFFAOYSA-N
MW837.08 g/mol
LogP17.11
Rot. Bonds7

About 5-(1-adamantyl)-N-dibenzofuran-3-yl-9-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]carbazol-3-amine

5-(1-adamantyl)-N-dibenzofuran-3-yl-9-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]carbazol-3-amine (PubChem CID 169028688) has the molecular formula C62H48N2O and a molecular weight of 837.08 g/mol. Its IUPAC name is 5-(1-adamantyl)-N-dibenzofuran-3-yl-9-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]carbazol-3-amine.

Molecular Properties

Compound Name5-(1-adamantyl)-N-dibenzofuran-3-yl-9-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]carbazol-3-amine
PubChem CID169028688
Molecular FormulaC62H48N2O
Molecular Weight837.08 g/mol
Exact Mass836.38
IUPAC Name5-(1-adamantyl)-N-dibenzofuran-3-yl-9-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]carbazol-3-amine
SMILESc1ccc(-c2cccc3cccc(-c4ccc(N(c5ccc6c(c5)oc5ccccc56)c5ccc6c(c5)c5c(C78CC9CC(CC(C9)C7)C8)cccc5n6-c5ccccc5)cc4)c23)cc1
InChIInChI=1S/C62H48N2O/c1-3-12-43(13-4-1)50-19-9-14-45-15-10-20-51(60(45)50)44-24-26-47(27-25-44)63(49-28-30-53-52-18-7-8-23-58(52)65-59(53)36-49)48-29-31-56-54(35-48)61-55(62-37-40-32-41(38-62)34-42(33-40)39-62)21-11-22-57(61)64(56)46-16-5-2-6-17-46/h1-31,35-36,40-42H,32-34,37-39H2
InChIKeyOVYQDXRLNVLAQJ-UHFFFAOYSA-N
XLogP17.11
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500837.08
LogP ≤ 517.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-dibenzofuran-3-ylphenyl)-N,5,9-triphenylcarbazol-3-amine
CID 169010221
N-[4-[4-(1-adamantyl)phenyl]phenyl]-N-[3-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine
CID 169028650
N-dibenzofuran-2-yl-9-phenyl-N,5-bis(4-phenylphenyl)carbazol-3-amine
CID 169010452
4-[4-(1-adamantyl)phenyl]-N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 169028748
4-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170379960
N-(4-dibenzofuran-1-ylphenyl)-7-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]benzo[c]carbazol-3-amine
CID 169285156
N-[4-[4-(1-adamantyl)phenyl]phenyl]-3-carbazol-9-yl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 169028546
N-[4-[4-(1-adamantyl)phenyl]phenyl]-3-(3-carbazol-9-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 169028274
N-[2-(9-phenylcarbazol-3-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine
CID 170298890
N-dibenzofuran-3-yl-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-2-amine
CID 170298904
N-[3-(1-naphthalen-2-ylbenzo[c]carbazol-7-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 177101252
4-[4-(1-adamantyl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 169028585

Frequently Asked Questions

What is the IUPAC name of 5-(1-adamantyl)-N-dibenzofuran-3-yl-9-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]carbazol-3-amine?
The IUPAC name of 5-(1-adamantyl)-N-dibenzofuran-3-yl-9-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]carbazol-3-amine (CID 169028688) is 5-(1-adamantyl)-N-dibenzofuran-3-yl-9-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]carbazol-3-amine.
What is the SMILES notation for 5-(1-adamantyl)-N-dibenzofuran-3-yl-9-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]carbazol-3-amine?
The canonical SMILES for 5-(1-adamantyl)-N-dibenzofuran-3-yl-9-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]carbazol-3-amine is c1ccc(-c2cccc3cccc(-c4ccc(N(c5ccc6c(c5)oc5ccccc56)c5ccc6c(c5)c5c(C78CC9CC(CC(C9)C7)C8)cccc5n6-c5ccccc5)cc4)c23)cc1.
What is the InChIKey of 5-(1-adamantyl)-N-dibenzofuran-3-yl-9-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]carbazol-3-amine?
The InChIKey is OVYQDXRLNVLAQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H48N2O/c1-3-12-43(13-4-1)50-19-9-14-45-15-10-20-51(60(45)50)44-24-26-47(27-25-44)63(49-28-30-53-52-18-7-8-23-58(52)65-59(53)36-49)48-29-31-56-54(35-48)61-55(62-37-40-32-41(38-62)34-42(33-40)39-62)21-11-22-57(61)64(56)46-16-5-2-6-17-46/h1-31,35-36,40-42H,32-34,37-39H2.
What are the key properties of 5-(1-adamantyl)-N-dibenzofuran-3-yl-9-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]carbazol-3-amine?
5-(1-adamantyl)-N-dibenzofuran-3-yl-9-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]carbazol-3-amine has a molecular weight of 837.08 g/mol, XLogP of 17.11, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-adamantyl)-N-dibenzofuran-3-yl-9-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]carbazol-3-amine is sourced from PubChem (CID 169028688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).