N-(9,9-dimethylfluoren-2-yl)-6-phenanthren-9-yl-N-(2-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine

C57H39NO — CID 169295457

IUPACN-(9,9-dimethylfluoren-2-yl)-6-phenanthren-9-yl-N-(2-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)oc3c(-c5cc6ccccc6c6ccccc56)c5ccccc5cc34)c3ccccc3-c3ccccc3)cc21
InChIInChI=1S/C57H39NO/c1-57(2)51-26-14-12-25-46(51)47-30-28-39(34-52(47)57)58(53-27-15-13-21-42(53)36-16-4-3-5-17-36)40-29-31-48-50-33-38-19-7-9-22-43(38)55(56(50)59-54(48)35-40)49-32-37-18-6-8-20-41(37)44-23-10-11-24-45(44)49/h3-35H,1-2H3
InChIKeySDYRPMVFMNZKTA-UHFFFAOYSA-N
MW753.95 g/mol
LogP16.16
Rot. Bonds5

About N-(9,9-dimethylfluoren-2-yl)-6-phenanthren-9-yl-N-(2-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine

N-(9,9-dimethylfluoren-2-yl)-6-phenanthren-9-yl-N-(2-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine (PubChem CID 169295457) has the molecular formula C57H39NO and a molecular weight of 753.95 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-6-phenanthren-9-yl-N-(2-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-6-phenanthren-9-yl-N-(2-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine
PubChem CID169295457
Molecular FormulaC57H39NO
Molecular Weight753.95 g/mol
Exact Mass753.30
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-6-phenanthren-9-yl-N-(2-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)oc3c(-c5cc6ccccc6c6ccccc56)c5ccccc5cc34)c3ccccc3-c3ccccc3)cc21
InChIInChI=1S/C57H39NO/c1-57(2)51-26-14-12-25-46(51)47-30-28-39(34-52(47)57)58(53-27-15-13-21-42(53)36-16-4-3-5-17-36)40-29-31-48-50-33-38-19-7-9-22-43(38)55(56(50)59-54(48)35-40)49-32-37-18-6-8-20-41(37)44-23-10-11-24-45(44)49/h3-35H,1-2H3
InChIKeySDYRPMVFMNZKTA-UHFFFAOYSA-N
XLogP16.16
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500753.95
LogP ≤ 516.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-6-phenanthren-9-yl-N-(2-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-amine
CID 169295221
N-(9,9-dimethylfluoren-2-yl)-N-phenanthren-9-yl-6-phenylnaphtho[2,3-b][1]benzofuran-3-amine
CID 169295604
6-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-N-(2-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine
CID 169295605
N,N-bis(9,9-dimethylfluoren-2-yl)-6-phenylnaphtho[2,3-b][1]benzofuran-3-amine
CID 169296266
N,N,6-tris(9,9-dimethylfluoren-2-yl)naphtho[2,3-b][1]benzofuran-3-amine
CID 169295606
N-(9,9-dimethylfluoren-2-yl)-N-phenyl-6-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-3-amine
CID 169295312
6-(9,9-dimethylfluoren-2-yl)-N,N-bis(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine
CID 169296272
N-(9,9-dimethylfluoren-2-yl)-6-naphthalen-2-yl-N-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-3-amine
CID 169296132
N-(9,9-dimethylfluoren-2-yl)-6-phenyl-N-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-4-amine
CID 169296235
N-(3-dibenzofuran-2-yl-2-phenanthren-9-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-3-amine
CID 177274937
N,N-bis(9,9-dimethylfluoren-2-yl)-6-(2-phenylphenyl)naphtho[2,1-b][1]benzofuran-11-amine
CID 174320773
N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-6-naphthalen-2-ylnaphtho[2,3-b][1]benzofuran-3-amine
CID 169295552

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-6-phenanthren-9-yl-N-(2-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-6-phenanthren-9-yl-N-(2-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine (CID 169295457) is N-(9,9-dimethylfluoren-2-yl)-6-phenanthren-9-yl-N-(2-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-6-phenanthren-9-yl-N-(2-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-6-phenanthren-9-yl-N-(2-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)oc3c(-c5cc6ccccc6c6ccccc56)c5ccccc5cc34)c3ccccc3-c3ccccc3)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-6-phenanthren-9-yl-N-(2-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine?
The InChIKey is SDYRPMVFMNZKTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H39NO/c1-57(2)51-26-14-12-25-46(51)47-30-28-39(34-52(47)57)58(53-27-15-13-21-42(53)36-16-4-3-5-17-36)40-29-31-48-50-33-38-19-7-9-22-43(38)55(56(50)59-54(48)35-40)49-32-37-18-6-8-20-41(37)44-23-10-11-24-45(44)49/h3-35H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-6-phenanthren-9-yl-N-(2-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine?
N-(9,9-dimethylfluoren-2-yl)-6-phenanthren-9-yl-N-(2-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine has a molecular weight of 753.95 g/mol, XLogP of 16.16, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-6-phenanthren-9-yl-N-(2-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine is sourced from PubChem (CID 169295457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).