N-[5-(4-carbazol-9-ylcyclohexa-1,3-dien-1-yl)-9,9-diphenylfluoren-2-yl]-N-phenyldibenzofuran-4-amine

C61H42N2O — CID 166895477

IUPACN-[5-(4-carbazol-9-ylcyclohexa-1,3-dien-1-yl)-9,9-diphenylfluoren-2-yl]-N-phenyldibenzofuran-4-amine
SMILESC1=C(c2cccc3c2-c2ccc(N(c4ccccc4)c4cccc5c4oc4ccccc45)cc2C3(c2ccccc2)c2ccccc2)CCC(n2c3ccccc3c3ccccc32)=C1
InChIInChI=1S/C61H42N2O/c1-4-18-42(19-5-1)61(43-20-6-2-7-21-43)53-29-16-27-47(41-34-36-45(37-35-41)63-55-30-13-10-24-48(55)49-25-11-14-31-56(49)63)59(53)52-39-38-46(40-54(52)61)62(44-22-8-3-9-23-44)57-32-17-28-51-50-26-12-15-33-58(50)64-60(51)57/h1-34,36,38-40H,35,37H2
InChIKeyQSQGVFPUIQTRKI-UHFFFAOYSA-N
MW819.02 g/mol
LogP16.25
Rot. Bonds7

About N-[5-(4-carbazol-9-ylcyclohexa-1,3-dien-1-yl)-9,9-diphenylfluoren-2-yl]-N-phenyldibenzofuran-4-amine

N-[5-(4-carbazol-9-ylcyclohexa-1,3-dien-1-yl)-9,9-diphenylfluoren-2-yl]-N-phenyldibenzofuran-4-amine (PubChem CID 166895477) has the molecular formula C61H42N2O and a molecular weight of 819.02 g/mol. Its IUPAC name is N-[5-(4-carbazol-9-ylcyclohexa-1,3-dien-1-yl)-9,9-diphenylfluoren-2-yl]-N-phenyldibenzofuran-4-amine.

Molecular Properties

Compound NameN-[5-(4-carbazol-9-ylcyclohexa-1,3-dien-1-yl)-9,9-diphenylfluoren-2-yl]-N-phenyldibenzofuran-4-amine
PubChem CID166895477
Molecular FormulaC61H42N2O
Molecular Weight819.02 g/mol
Exact Mass818.33
IUPAC NameN-[5-(4-carbazol-9-ylcyclohexa-1,3-dien-1-yl)-9,9-diphenylfluoren-2-yl]-N-phenyldibenzofuran-4-amine
SMILESC1=C(c2cccc3c2-c2ccc(N(c4ccccc4)c4cccc5c4oc4ccccc45)cc2C3(c2ccccc2)c2ccccc2)CCC(n2c3ccccc3c3ccccc32)=C1
InChIInChI=1S/C61H42N2O/c1-4-18-42(19-5-1)61(43-20-6-2-7-21-43)53-29-16-27-47(41-34-36-45(37-35-41)63-55-30-13-10-24-48(55)49-25-11-14-31-56(49)63)59(53)52-39-38-46(40-54(52)61)62(44-22-8-3-9-23-44)57-32-17-28-51-50-26-12-15-33-58(50)64-60(51)57/h1-34,36,38-40H,35,37H2
InChIKeyQSQGVFPUIQTRKI-UHFFFAOYSA-N
XLogP16.25
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500819.02
LogP ≤ 516.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[5-(4-carbazol-9-ylcyclohexa-1,3-dien-1-yl)-9,9-diphenylfluoren-2-yl]-N-phenyldibenzofuran-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(4-carbazol-9-ylcyclohexa-1,3-dien-1-yl)-N,9,9-triphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 166895529
N-(4-carbazol-9-ylphenyl)-9,9-diphenyl-N-(2-phenylphenyl)fluoren-2-amine;N-(4-carbazol-9-ylphenyl)-N,9,9-triphenylfluoren-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-(3-phenylphenyl)dibenzofuran-4-amine;N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 164956746
N-(4-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 121424255
6-carbazol-9-yl-N-(9,9-diphenylfluoren-4-yl)-N-phenyldibenzofuran-3-amine
CID 165374523
4-N-dibenzofuran-4-yl-2-N',2-N',4-N-triphenyl-9,9'-spirobi[fluorene]-2',4-diamine
CID 140915337
N-dibenzofuran-4-yl-N-(11,11-diphenylbenzo[b]fluoren-2-yl)-9-phenylcarbazol-3-amine
CID 167036314
N,N-bis(9,9-diphenylfluoren-4-yl)tetraphenylen-2-amine;N-(9,9-diphenylfluoren-4-yl)-N-tetraphenylen-2-yldibenzofuran-4-amine;N-(9,9-diphenylfluoren-2-yl)-N-triphenylen-2-yltetraphenylen-2-amine
CID 167668523
N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)fluoren-4-amine;N-(9,9-dimethylfluoren-4-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 160755844
N-(2-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)dibenzofuran-4-amine
CID 122675382
N-(3-carbazol-9-ylphenyl)-N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 121424581
3-N-dibenzofuran-4-yl-1-N-phenyl-1-N-(4-phenylphenyl)-3-N-(9-phenylspiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-fluorene]-2'-yl)benzene-1,3-diamine
CID 170690324
N-phenyl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-2'-yldibenzofuran-4-amine
CID 164960101

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-carbazol-9-ylcyclohexa-1,3-dien-1-yl)-9,9-diphenylfluoren-2-yl]-N-phenyldibenzofuran-4-amine?
The IUPAC name of N-[5-(4-carbazol-9-ylcyclohexa-1,3-dien-1-yl)-9,9-diphenylfluoren-2-yl]-N-phenyldibenzofuran-4-amine (CID 166895477) is N-[5-(4-carbazol-9-ylcyclohexa-1,3-dien-1-yl)-9,9-diphenylfluoren-2-yl]-N-phenyldibenzofuran-4-amine.
What is the SMILES notation for N-[5-(4-carbazol-9-ylcyclohexa-1,3-dien-1-yl)-9,9-diphenylfluoren-2-yl]-N-phenyldibenzofuran-4-amine?
The canonical SMILES for N-[5-(4-carbazol-9-ylcyclohexa-1,3-dien-1-yl)-9,9-diphenylfluoren-2-yl]-N-phenyldibenzofuran-4-amine is C1=C(c2cccc3c2-c2ccc(N(c4ccccc4)c4cccc5c4oc4ccccc45)cc2C3(c2ccccc2)c2ccccc2)CCC(n2c3ccccc3c3ccccc32)=C1.
What is the InChIKey of N-[5-(4-carbazol-9-ylcyclohexa-1,3-dien-1-yl)-9,9-diphenylfluoren-2-yl]-N-phenyldibenzofuran-4-amine?
The InChIKey is QSQGVFPUIQTRKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H42N2O/c1-4-18-42(19-5-1)61(43-20-6-2-7-21-43)53-29-16-27-47(41-34-36-45(37-35-41)63-55-30-13-10-24-48(55)49-25-11-14-31-56(49)63)59(53)52-39-38-46(40-54(52)61)62(44-22-8-3-9-23-44)57-32-17-28-51-50-26-12-15-33-58(50)64-60(51)57/h1-34,36,38-40H,35,37H2.
What are the key properties of N-[5-(4-carbazol-9-ylcyclohexa-1,3-dien-1-yl)-9,9-diphenylfluoren-2-yl]-N-phenyldibenzofuran-4-amine?
N-[5-(4-carbazol-9-ylcyclohexa-1,3-dien-1-yl)-9,9-diphenylfluoren-2-yl]-N-phenyldibenzofuran-4-amine has a molecular weight of 819.02 g/mol, XLogP of 16.25, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-carbazol-9-ylcyclohexa-1,3-dien-1-yl)-9,9-diphenylfluoren-2-yl]-N-phenyldibenzofuran-4-amine is sourced from PubChem (CID 166895477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).