N-(9,9-diphenylfluoren-4-yl)-N-(10-naphthalen-2-ylphenanthren-9-yl)dibenzofuran-1-amine

C61H39NO — CID 155305219

IUPACN-(9,9-diphenylfluoren-4-yl)-N-(10-naphthalen-2-ylphenanthren-9-yl)dibenzofuran-1-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3c(N(c4c(-c5ccc6ccccc6c5)c5ccccc5c5ccccc45)c4cccc5oc6ccccc6c45)cccc32)cc1
InChIInChI=1S/C61H39NO/c1-3-21-43(22-4-1)61(44-23-5-2-6-24-44)51-31-15-13-29-49(51)58-52(61)32-17-33-53(58)62(54-34-18-36-56-59(54)50-30-14-16-35-55(50)63-56)60-48-28-12-10-26-46(48)45-25-9-11-27-47(45)57(60)42-38-37-40-19-7-8-20-41(40)39-42/h1-39H
InChIKeyFVPDEHPBYIVFAS-UHFFFAOYSA-N
MW801.99 g/mol
LogP16.55
Rot. Bonds6

About N-(9,9-diphenylfluoren-4-yl)-N-(10-naphthalen-2-ylphenanthren-9-yl)dibenzofuran-1-amine

N-(9,9-diphenylfluoren-4-yl)-N-(10-naphthalen-2-ylphenanthren-9-yl)dibenzofuran-1-amine (PubChem CID 155305219) has the molecular formula C61H39NO and a molecular weight of 801.99 g/mol. Its IUPAC name is N-(9,9-diphenylfluoren-4-yl)-N-(10-naphthalen-2-ylphenanthren-9-yl)dibenzofuran-1-amine.

Molecular Properties

Compound NameN-(9,9-diphenylfluoren-4-yl)-N-(10-naphthalen-2-ylphenanthren-9-yl)dibenzofuran-1-amine
PubChem CID155305219
Molecular FormulaC61H39NO
Molecular Weight801.99 g/mol
Exact Mass801.30
IUPAC NameN-(9,9-diphenylfluoren-4-yl)-N-(10-naphthalen-2-ylphenanthren-9-yl)dibenzofuran-1-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3c(N(c4c(-c5ccc6ccccc6c5)c5ccccc5c5ccccc45)c4cccc5oc6ccccc6c45)cccc32)cc1
InChIInChI=1S/C61H39NO/c1-3-21-43(22-4-1)61(44-23-5-2-6-24-44)51-31-15-13-29-49(51)58-52(61)32-17-33-53(58)62(54-34-18-36-56-59(54)50-30-14-16-35-55(50)63-56)60-48-28-12-10-26-46(48)45-25-9-11-27-47(45)57(60)42-38-37-40-19-7-8-20-41(40)39-42/h1-39H
InChIKeyFVPDEHPBYIVFAS-UHFFFAOYSA-N
XLogP16.55
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500801.99
LogP ≤ 516.55
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-diphenylfluoren-4-yl)-N-(4-naphthalen-2-ylphenyl)dibenzofuran-1-amine
CID 172544755
N-(2-dibenzofuran-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine;N-(2-dibenzofuran-1-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 157466477
N-(4-dibenzofuran-3-ylphenyl)-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-9,9-diphenylfluoren-4-amine
CID 166565972
N-(9,9-diphenylfluoren-4-yl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-1-amine
CID 170119694
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 146251209
N-dibenzofuran-1-yl-N-(9,9-diphenylfluoren-4-yl)spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-amine
CID 135229419
N-(9,9-diphenylfluoren-4-yl)-10-(3-naphthalen-1-ylphenyl)-N-(2-phenylphenyl)phenanthren-9-amine
CID 155305081
1-N-dibenzofuran-1-yl-2-N-(9,9-diphenylfluoren-4-yl)-1-N-phenyl-2-N-[3-(9-phenylfluoren-9-yl)phenyl]benzene-1,2-diamine
CID 155096765
N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(9,9-diphenylfluoren-4-yl)dibenzofuran-1-amine
CID 170302160
N-(4-dibenzofuran-2-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethyl-7-naphthalen-2-ylfluoren-2-amine
CID 135193217
1-N,3-N-di(dibenzofuran-1-yl)-1-N-(9,9-diphenylfluoren-3-yl)-3-N-(9,9-diphenylfluoren-4-yl)benzene-1,3-diamine
CID 155312684
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 169020362

Frequently Asked Questions

What is the IUPAC name of N-(9,9-diphenylfluoren-4-yl)-N-(10-naphthalen-2-ylphenanthren-9-yl)dibenzofuran-1-amine?
The IUPAC name of N-(9,9-diphenylfluoren-4-yl)-N-(10-naphthalen-2-ylphenanthren-9-yl)dibenzofuran-1-amine (CID 155305219) is N-(9,9-diphenylfluoren-4-yl)-N-(10-naphthalen-2-ylphenanthren-9-yl)dibenzofuran-1-amine.
What is the SMILES notation for N-(9,9-diphenylfluoren-4-yl)-N-(10-naphthalen-2-ylphenanthren-9-yl)dibenzofuran-1-amine?
The canonical SMILES for N-(9,9-diphenylfluoren-4-yl)-N-(10-naphthalen-2-ylphenanthren-9-yl)dibenzofuran-1-amine is c1ccc(C2(c3ccccc3)c3ccccc3-c3c(N(c4c(-c5ccc6ccccc6c5)c5ccccc5c5ccccc45)c4cccc5oc6ccccc6c45)cccc32)cc1.
What is the InChIKey of N-(9,9-diphenylfluoren-4-yl)-N-(10-naphthalen-2-ylphenanthren-9-yl)dibenzofuran-1-amine?
The InChIKey is FVPDEHPBYIVFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H39NO/c1-3-21-43(22-4-1)61(44-23-5-2-6-24-44)51-31-15-13-29-49(51)58-52(61)32-17-33-53(58)62(54-34-18-36-56-59(54)50-30-14-16-35-55(50)63-56)60-48-28-12-10-26-46(48)45-25-9-11-27-47(45)57(60)42-38-37-40-19-7-8-20-41(40)39-42/h1-39H.
What are the key properties of N-(9,9-diphenylfluoren-4-yl)-N-(10-naphthalen-2-ylphenanthren-9-yl)dibenzofuran-1-amine?
N-(9,9-diphenylfluoren-4-yl)-N-(10-naphthalen-2-ylphenanthren-9-yl)dibenzofuran-1-amine has a molecular weight of 801.99 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 N-(9,9-diphenylfluoren-4-yl)-N-(10-naphthalen-2-ylphenanthren-9-yl)dibenzofuran-1-amine is sourced from PubChem (CID 155305219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).