benzene;N-(4-dibenzofuran-2-ylcyclohexa-1,3-dien-1-yl)-N-methylspiro[6,7-dihydrobenzo[b]fluorene-11,9'-fluorene]-2'-amine;ethane

C58H53NO — CID 145138018

IUPACbenzene;N-(4-dibenzofuran-2-ylcyclohexa-1,3-dien-1-yl)-N-methylspiro[6,7-dihydrobenzo[b]fluorene-11,9'-fluorene]-2'-amine;ethane
SMILESCC.CC.CN(C1=CC=C(c2ccc3oc4ccccc4c3c2)CC1)c1ccc2c(c1)C1(c3ccccc3-2)c2ccccc2-c2cc3c(cc21)C=CCC3.c1ccccc1
InChIInChI=1S/C48H35NO.C6H6.2C2H6/c1-49(34-21-18-30(19-22-34)33-20-25-47-41(27-33)39-14-6-9-17-46(39)50-47)35-23-24-38-36-12-4-7-15-42(36)48(45(38)29-35)43-16-8-5-13-37(43)40-26-31-10-2-3-11-32(31)28-44(40)48;1-2-4-6-5-3-1;2*1-2/h3-9,11-18,20-21,23-29H,2,10,19,22H2,1H3;1-6H;2*1-2H3
InChIKeyZSPUOQFGNGYVKS-UHFFFAOYSA-N
MW780.07 g/mol
LogP15.83
Rot. Bonds3

About benzene;N-(4-dibenzofuran-2-ylcyclohexa-1,3-dien-1-yl)-N-methylspiro[6,7-dihydrobenzo[b]fluorene-11,9'-fluorene]-2'-amine;ethane

benzene;N-(4-dibenzofuran-2-ylcyclohexa-1,3-dien-1-yl)-N-methylspiro[6,7-dihydrobenzo[b]fluorene-11,9'-fluorene]-2'-amine;ethane (PubChem CID 145138018) has the molecular formula C58H53NO and a molecular weight of 780.07 g/mol. Its IUPAC name is benzene;N-(4-dibenzofuran-2-ylcyclohexa-1,3-dien-1-yl)-N-methylspiro[6,7-dihydrobenzo[b]fluorene-11,9'-fluorene]-2'-amine;ethane.

Molecular Properties

Compound Namebenzene;N-(4-dibenzofuran-2-ylcyclohexa-1,3-dien-1-yl)-N-methylspiro[6,7-dihydrobenzo[b]fluorene-11,9'-fluorene]-2'-amine;ethane
PubChem CID145138018
Molecular FormulaC58H53NO
Molecular Weight780.07 g/mol
Exact Mass779.41
IUPAC Namebenzene;N-(4-dibenzofuran-2-ylcyclohexa-1,3-dien-1-yl)-N-methylspiro[6,7-dihydrobenzo[b]fluorene-11,9'-fluorene]-2'-amine;ethane
SMILESCC.CC.CN(C1=CC=C(c2ccc3oc4ccccc4c3c2)CC1)c1ccc2c(c1)C1(c3ccccc3-2)c2ccccc2-c2cc3c(cc21)C=CCC3.c1ccccc1
InChIInChI=1S/C48H35NO.C6H6.2C2H6/c1-49(34-21-18-30(19-22-34)33-20-25-47-41(27-33)39-14-6-9-17-46(39)50-47)35-23-24-38-36-12-4-7-15-42(36)48(45(38)29-35)43-16-8-5-13-37(43)40-26-31-10-2-3-11-32(31)28-44(40)48;1-2-4-6-5-3-1;2*1-2/h3-9,11-18,20-21,23-29H,2,10,19,22H2,1H3;1-6H;2*1-2H3
InChIKeyZSPUOQFGNGYVKS-UHFFFAOYSA-N
XLogP15.83
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500780.07
LogP ≤ 515.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze benzene;N-(4-dibenzofuran-2-ylcyclohexa-1,3-dien-1-yl)-N-methylspiro[6,7-dihydrobenzo[b]fluorene-11,9'-fluorene]-2'-amine;ethane with MolForge

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Related Compounds

N-(3-dibenzofuran-2-ylphenyl)-N-(5,6-dihydronaphthalen-2-yl)-9,9-dimethylfluoren-2-amine
CID 118487128
dibenzofuran;ethane;N-methyl-9,9-diphenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2'-amine
CID 142480603
N-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]dibenzofuran-2-amine
CID 166906613
N-(3-dibenzofuran-2-ylphenyl)-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 118298560
N,N-bis(2-dibenzofuran-2-ylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 118298604
N-dibenzofuran-2-yl-N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)dibenzofuran-2-amine
CID 163804451
N-(4-dibenzofuran-2-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9'-spirobi[fluorene]-2-amine
CID 121423673
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 146247470
N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)cyclohexa-1,3-dien-1-yl]dibenzofuran-3-amine
CID 146247460
N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-phenylspiro[anthracene-10,9'-fluorene]-2-amine
CID 167177585
N-(4-dibenzofuran-2-ylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-3-amine
CID 126538337
2-[10-(9,9'-spirobi[fluorene]-2-yl)anthracen-9-yl]dibenzofuran
CID 164758447

Frequently Asked Questions

What is the IUPAC name of benzene;N-(4-dibenzofuran-2-ylcyclohexa-1,3-dien-1-yl)-N-methylspiro[6,7-dihydrobenzo[b]fluorene-11,9'-fluorene]-2'-amine;ethane?
The IUPAC name of benzene;N-(4-dibenzofuran-2-ylcyclohexa-1,3-dien-1-yl)-N-methylspiro[6,7-dihydrobenzo[b]fluorene-11,9'-fluorene]-2'-amine;ethane (CID 145138018) is benzene;N-(4-dibenzofuran-2-ylcyclohexa-1,3-dien-1-yl)-N-methylspiro[6,7-dihydrobenzo[b]fluorene-11,9'-fluorene]-2'-amine;ethane.
What is the SMILES notation for benzene;N-(4-dibenzofuran-2-ylcyclohexa-1,3-dien-1-yl)-N-methylspiro[6,7-dihydrobenzo[b]fluorene-11,9'-fluorene]-2'-amine;ethane?
The canonical SMILES for benzene;N-(4-dibenzofuran-2-ylcyclohexa-1,3-dien-1-yl)-N-methylspiro[6,7-dihydrobenzo[b]fluorene-11,9'-fluorene]-2'-amine;ethane is CC.CC.CN(C1=CC=C(c2ccc3oc4ccccc4c3c2)CC1)c1ccc2c(c1)C1(c3ccccc3-2)c2ccccc2-c2cc3c(cc21)C=CCC3.c1ccccc1.
What is the InChIKey of benzene;N-(4-dibenzofuran-2-ylcyclohexa-1,3-dien-1-yl)-N-methylspiro[6,7-dihydrobenzo[b]fluorene-11,9'-fluorene]-2'-amine;ethane?
The InChIKey is ZSPUOQFGNGYVKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H35NO.C6H6.2C2H6/c1-49(34-21-18-30(19-22-34)33-20-25-47-41(27-33)39-14-6-9-17-46(39)50-47)35-23-24-38-36-12-4-7-15-42(36)48(45(38)29-35)43-16-8-5-13-37(43)40-26-31-10-2-3-11-32(31)28-44(40)48;1-2-4-6-5-3-1;2*1-2/h3-9,11-18,20-21,23-29H,2,10,19,22H2,1H3;1-6H;2*1-2H3.
What are the key properties of benzene;N-(4-dibenzofuran-2-ylcyclohexa-1,3-dien-1-yl)-N-methylspiro[6,7-dihydrobenzo[b]fluorene-11,9'-fluorene]-2'-amine;ethane?
benzene;N-(4-dibenzofuran-2-ylcyclohexa-1,3-dien-1-yl)-N-methylspiro[6,7-dihydrobenzo[b]fluorene-11,9'-fluorene]-2'-amine;ethane has a molecular weight of 780.07 g/mol, XLogP of 15.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;N-(4-dibenzofuran-2-ylcyclohexa-1,3-dien-1-yl)-N-methylspiro[6,7-dihydrobenzo[b]fluorene-11,9'-fluorene]-2'-amine;ethane is sourced from PubChem (CID 145138018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).