N-(4-dibenzofuran-3-ylcyclohexa-2,4-dien-1-yl)-N-(9,9-dimethylfluoren-2-yl)-9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-amine;ethane

C73H57NO — CID 142481048

IUPACN-(4-dibenzofuran-3-ylcyclohexa-2,4-dien-1-yl)-N-(9,9-dimethylfluoren-2-yl)-9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-amine;ethane
SMILESCC.CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4C(c4ccccc4)(c4ccccc4)c4ccccc43)C3C=CC(c4ccc5c(c4)oc4ccccc45)=CC3)cc21
InChIInChI=1S/C71H51NO.C2H6/c1-69(2)59-26-12-9-23-53(59)55-41-38-51(44-65(55)69)72(50-36-33-46(34-37-50)47-35-40-58-57-25-11-18-32-67(57)73-68(58)43-47)52-39-42-56-54-24-10-13-27-60(54)71(66(56)45-52)63-30-16-14-28-61(63)70(48-19-5-3-6-20-48,49-21-7-4-8-22-49)62-29-15-17-31-64(62)71;1-2/h3-36,38-45,50H,37H2,1-2H3;1-2H3
InChIKeyQYOPYCZDYKBIDP-UHFFFAOYSA-N
MW964.26 g/mol
LogP18.53
Rot. Bonds6

About N-(4-dibenzofuran-3-ylcyclohexa-2,4-dien-1-yl)-N-(9,9-dimethylfluoren-2-yl)-9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-amine;ethane

N-(4-dibenzofuran-3-ylcyclohexa-2,4-dien-1-yl)-N-(9,9-dimethylfluoren-2-yl)-9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-amine;ethane (PubChem CID 142481048) has the molecular formula C73H57NO and a molecular weight of 964.26 g/mol. Its IUPAC name is N-(4-dibenzofuran-3-ylcyclohexa-2,4-dien-1-yl)-N-(9,9-dimethylfluoren-2-yl)-9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-amine;ethane.

Molecular Properties

Compound NameN-(4-dibenzofuran-3-ylcyclohexa-2,4-dien-1-yl)-N-(9,9-dimethylfluoren-2-yl)-9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-amine;ethane
PubChem CID142481048
Molecular FormulaC73H57NO
Molecular Weight964.26 g/mol
Exact Mass963.44
IUPAC NameN-(4-dibenzofuran-3-ylcyclohexa-2,4-dien-1-yl)-N-(9,9-dimethylfluoren-2-yl)-9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-amine;ethane
SMILESCC.CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4C(c4ccccc4)(c4ccccc4)c4ccccc43)C3C=CC(c4ccc5c(c4)oc4ccccc45)=CC3)cc21
InChIInChI=1S/C71H51NO.C2H6/c1-69(2)59-26-12-9-23-53(59)55-41-38-51(44-65(55)69)72(50-36-33-46(34-37-50)47-35-40-58-57-25-11-18-32-67(57)73-68(58)43-47)52-39-42-56-54-24-10-13-27-60(54)71(66(56)45-52)63-30-16-14-28-61(63)70(48-19-5-3-6-20-48,49-21-7-4-8-22-49)62-29-15-17-31-64(62)71;1-2/h3-36,38-45,50H,37H2,1-2H3;1-2H3
InChIKeyQYOPYCZDYKBIDP-UHFFFAOYSA-N
XLogP18.53
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500964.26
LogP ≤ 518.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(4-dibenzofuran-3-ylcyclohexa-2,4-dien-1-yl)-N-(9,9-dimethylfluoren-2-yl)-9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-amine;ethane 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

N-(9,9-dimethylfluoren-2-yl)-7-[7-[N-(9,9-dimethylfluoren-2-yl)-4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-yl)anilino]-9,9-dimethylfluoren-2-yl]-N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]dibenzofuran-3-amine
CID 146540137
dibenzofuran;ethane;N-methyl-9,9-diphenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2'-amine
CID 142480603
N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 67964095
N-dibenzofuran-3-yl-N-[9,9-dimethyl-7-(9-phenylfluoren-9-yl)fluoren-2-yl]dibenzofuran-3-amine
CID 140919912
N-(9,9-dimethylfluoren-2-yl)-N-[4-[8-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]phenyl]dibenzofuran-3-amine;N-phenyl-N-[4-[8-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]phenyl]dibenzofuran-3-amine
CID 163494653
3-N-dibenzofuran-1-yl-1-N-dibenzofuran-3-yl-1-N-(9,9-dimethylfluoren-2-yl)-3-N-(9,9-diphenylfluoren-2-yl)benzene-1,3-diamine
CID 155312876
N-[4-[3,5-di(dibenzofuran-2-yl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;N-[4-[3,5-di(dibenzofuran-2-yl)phenyl]phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine;N-[4-[3,5-di(dibenzofuran-2-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 159318971
N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 118298039
4-(4-dibenzofuran-3-ylphenyl)-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-phenylaniline
CID 67964130
N-(9,9-dimethylfluoren-2-yl)-7-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 163926045
N-(9,9-dimethylfluoren-2-yl)-17-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-7-amine
CID 171050430
N-(9,9-dimethylfluoren-2-yl)-N-(4-naphthalen-2-ylcyclohexa-2,4-dien-1-yl)-3'-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-9,9'-spirobi[fluorene]-2'-amine
CID 170448957

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-3-ylcyclohexa-2,4-dien-1-yl)-N-(9,9-dimethylfluoren-2-yl)-9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-amine;ethane?
The IUPAC name of N-(4-dibenzofuran-3-ylcyclohexa-2,4-dien-1-yl)-N-(9,9-dimethylfluoren-2-yl)-9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-amine;ethane (CID 142481048) is N-(4-dibenzofuran-3-ylcyclohexa-2,4-dien-1-yl)-N-(9,9-dimethylfluoren-2-yl)-9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-amine;ethane.
What is the SMILES notation for N-(4-dibenzofuran-3-ylcyclohexa-2,4-dien-1-yl)-N-(9,9-dimethylfluoren-2-yl)-9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-amine;ethane?
The canonical SMILES for N-(4-dibenzofuran-3-ylcyclohexa-2,4-dien-1-yl)-N-(9,9-dimethylfluoren-2-yl)-9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-amine;ethane is CC.CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4C(c4ccccc4)(c4ccccc4)c4ccccc43)C3C=CC(c4ccc5c(c4)oc4ccccc45)=CC3)cc21.
What is the InChIKey of N-(4-dibenzofuran-3-ylcyclohexa-2,4-dien-1-yl)-N-(9,9-dimethylfluoren-2-yl)-9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-amine;ethane?
The InChIKey is QYOPYCZDYKBIDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H51NO.C2H6/c1-69(2)59-26-12-9-23-53(59)55-41-38-51(44-65(55)69)72(50-36-33-46(34-37-50)47-35-40-58-57-25-11-18-32-67(57)73-68(58)43-47)52-39-42-56-54-24-10-13-27-60(54)71(66(56)45-52)63-30-16-14-28-61(63)70(48-19-5-3-6-20-48,49-21-7-4-8-22-49)62-29-15-17-31-64(62)71;1-2/h3-36,38-45,50H,37H2,1-2H3;1-2H3.
What are the key properties of N-(4-dibenzofuran-3-ylcyclohexa-2,4-dien-1-yl)-N-(9,9-dimethylfluoren-2-yl)-9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-amine;ethane?
N-(4-dibenzofuran-3-ylcyclohexa-2,4-dien-1-yl)-N-(9,9-dimethylfluoren-2-yl)-9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-amine;ethane has a molecular weight of 964.26 g/mol, XLogP of 18.53, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-3-ylcyclohexa-2,4-dien-1-yl)-N-(9,9-dimethylfluoren-2-yl)-9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-amine;ethane is sourced from PubChem (CID 142481048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).