N-(4-dibenzofuran-2-ylcyclohexa-1,3-dien-1-yl)-N-(9,9-dimethyl-2,3,7,8-tetrahydrofluoren-2-yl)-7-methylspiro[4b,7,8,8a-tetrahydrofluorene-9,9'-fluorene]-2-amine

C59H51NO — CID 178089659

IUPACN-(4-dibenzofuran-2-ylcyclohexa-1,3-dien-1-yl)-N-(9,9-dimethyl-2,3,7,8-tetrahydrofluoren-2-yl)-7-methylspiro[4b,7,8,8a-tetrahydrofluorene-9,9'-fluorene]-2-amine
SMILESCC1C=CC2c3ccc(N(C4=CC=C(c5ccc6oc7ccccc7c6c5)CC4)C4C=C5C(=CC4)C4=C(CCC=C4)C5(C)C)cc3C3(c4ccccc4-c4ccccc43)C2C1
InChIInChI=1S/C59H51NO/c1-36-20-28-46-47-30-27-41(35-55(47)59(54(46)32-36)51-17-9-5-13-43(51)44-14-6-10-18-52(44)59)60(40-26-29-45-42-12-4-8-16-50(42)58(2,3)53(45)34-40)39-24-21-37(22-25-39)38-23-31-57-49(33-38)48-15-7-11-19-56(48)61-57/h4-7,9-15,17-21,23-24,27-31,33-36,40,46,54H,8,16,22,25-26,32H2,1-3H3
InChIKeyVFBKJEIYDVAOJU-UHFFFAOYSA-N
MW790.06 g/mol
LogP15.09
Rot. Bonds4

About N-(4-dibenzofuran-2-ylcyclohexa-1,3-dien-1-yl)-N-(9,9-dimethyl-2,3,7,8-tetrahydrofluoren-2-yl)-7-methylspiro[4b,7,8,8a-tetrahydrofluorene-9,9'-fluorene]-2-amine

N-(4-dibenzofuran-2-ylcyclohexa-1,3-dien-1-yl)-N-(9,9-dimethyl-2,3,7,8-tetrahydrofluoren-2-yl)-7-methylspiro[4b,7,8,8a-tetrahydrofluorene-9,9'-fluorene]-2-amine (PubChem CID 178089659) has the molecular formula C59H51NO and a molecular weight of 790.06 g/mol. Its IUPAC name is N-(4-dibenzofuran-2-ylcyclohexa-1,3-dien-1-yl)-N-(9,9-dimethyl-2,3,7,8-tetrahydrofluoren-2-yl)-7-methylspiro[4b,7,8,8a-tetrahydrofluorene-9,9'-fluorene]-2-amine.

Molecular Properties

Compound NameN-(4-dibenzofuran-2-ylcyclohexa-1,3-dien-1-yl)-N-(9,9-dimethyl-2,3,7,8-tetrahydrofluoren-2-yl)-7-methylspiro[4b,7,8,8a-tetrahydrofluorene-9,9'-fluorene]-2-amine
PubChem CID178089659
Molecular FormulaC59H51NO
Molecular Weight790.06 g/mol
Exact Mass789.40
IUPAC NameN-(4-dibenzofuran-2-ylcyclohexa-1,3-dien-1-yl)-N-(9,9-dimethyl-2,3,7,8-tetrahydrofluoren-2-yl)-7-methylspiro[4b,7,8,8a-tetrahydrofluorene-9,9'-fluorene]-2-amine
SMILESCC1C=CC2c3ccc(N(C4=CC=C(c5ccc6oc7ccccc7c6c5)CC4)C4C=C5C(=CC4)C4=C(CCC=C4)C5(C)C)cc3C3(c4ccccc4-c4ccccc43)C2C1
InChIInChI=1S/C59H51NO/c1-36-20-28-46-47-30-27-41(35-55(47)59(54(46)32-36)51-17-9-5-13-43(51)44-14-6-10-18-52(44)59)60(40-26-29-45-42-12-4-8-16-50(42)58(2,3)53(45)34-40)39-24-21-37(22-25-39)38-23-31-57-49(33-38)48-15-7-11-19-56(48)61-57/h4-7,9-15,17-21,23-24,27-31,33-36,40,46,54H,8,16,22,25-26,32H2,1-3H3
InChIKeyVFBKJEIYDVAOJU-UHFFFAOYSA-N
XLogP15.09
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500790.06
LogP ≤ 515.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(4-dibenzofuran-2-ylcyclohexa-1,3-dien-1-yl)-N-(9,9-dimethyl-2,3,7,8-tetrahydrofluoren-2-yl)-7-methylspiro[4b,7,8,8a-tetrahydrofluorene-9,9'-fluorene]-2-amine with MolForge

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Related Compounds

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
N-(7,7-dimethyl-9,10-dihydrofluoreno[5,6-b][1]benzofuran-9-yl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzofuran-9-amine
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CID 156558412
N-(3-dibenzofuran-2-ylphenyl)-N-(5,6-dihydronaphthalen-2-yl)-9,9-dimethylfluoren-2-amine
CID 118487128
2-(9,9-dimethyl-7,8-dihydrofluoren-4-yl)-4-[4-[8-(3-ethenyl-4-phenylcyclohexa-2,4-dien-1-yl)dibenzofuran-1-yl]phenyl]-6-phenyl-1,3,5-triazine
CID 140946481
N-dibenzofuran-2-yl-9-(5-methylcyclohexa-1,3-dien-1-yl)-N-(5-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2,6,8,10,12,14(19),15-octaenyl)carbazol-3-amine
CID 167282084
N-(6,7-dihydrodibenzothiophen-3-yl)-N-[4-(9',9'-dimethylspiro[4b,8a-dihydrofluorene-9,10'-anthracene]-2-yl)cyclohexa-1,3-dien-1-yl]dibenzothiophen-3-amine
CID 163746763
N-(4-dibenzofuran-4-ylcyclohexa-1,3-dien-1-yl)-N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethylfluoren-2-amine
CID 144623792
9-dibenzofuran-2-yl-N-[2-(9,9-dimethyl-7,8-dihydrofluoren-4-yl)phenyl]-9-phenyl-N-[3-(9-phenylcarbazol-2-yl)phenyl]-4b,8a-dihydrofluoren-2-amine
CID 170138429
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CID 142481358
N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-[4-[4-(4-methylphenyl)phenyl]phenyl]fluoren-2-amine
CID 67964272
N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[7,8-dihydrofluorene-9,9'-fluorene]-1-amine
CID 166705641

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-2-ylcyclohexa-1,3-dien-1-yl)-N-(9,9-dimethyl-2,3,7,8-tetrahydrofluoren-2-yl)-7-methylspiro[4b,7,8,8a-tetrahydrofluorene-9,9'-fluorene]-2-amine?
The IUPAC name of N-(4-dibenzofuran-2-ylcyclohexa-1,3-dien-1-yl)-N-(9,9-dimethyl-2,3,7,8-tetrahydrofluoren-2-yl)-7-methylspiro[4b,7,8,8a-tetrahydrofluorene-9,9'-fluorene]-2-amine (CID 178089659) is N-(4-dibenzofuran-2-ylcyclohexa-1,3-dien-1-yl)-N-(9,9-dimethyl-2,3,7,8-tetrahydrofluoren-2-yl)-7-methylspiro[4b,7,8,8a-tetrahydrofluorene-9,9'-fluorene]-2-amine.
What is the SMILES notation for N-(4-dibenzofuran-2-ylcyclohexa-1,3-dien-1-yl)-N-(9,9-dimethyl-2,3,7,8-tetrahydrofluoren-2-yl)-7-methylspiro[4b,7,8,8a-tetrahydrofluorene-9,9'-fluorene]-2-amine?
The canonical SMILES for N-(4-dibenzofuran-2-ylcyclohexa-1,3-dien-1-yl)-N-(9,9-dimethyl-2,3,7,8-tetrahydrofluoren-2-yl)-7-methylspiro[4b,7,8,8a-tetrahydrofluorene-9,9'-fluorene]-2-amine is CC1C=CC2c3ccc(N(C4=CC=C(c5ccc6oc7ccccc7c6c5)CC4)C4C=C5C(=CC4)C4=C(CCC=C4)C5(C)C)cc3C3(c4ccccc4-c4ccccc43)C2C1.
What is the InChIKey of N-(4-dibenzofuran-2-ylcyclohexa-1,3-dien-1-yl)-N-(9,9-dimethyl-2,3,7,8-tetrahydrofluoren-2-yl)-7-methylspiro[4b,7,8,8a-tetrahydrofluorene-9,9'-fluorene]-2-amine?
The InChIKey is VFBKJEIYDVAOJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H51NO/c1-36-20-28-46-47-30-27-41(35-55(47)59(54(46)32-36)51-17-9-5-13-43(51)44-14-6-10-18-52(44)59)60(40-26-29-45-42-12-4-8-16-50(42)58(2,3)53(45)34-40)39-24-21-37(22-25-39)38-23-31-57-49(33-38)48-15-7-11-19-56(48)61-57/h4-7,9-15,17-21,23-24,27-31,33-36,40,46,54H,8,16,22,25-26,32H2,1-3H3.
What are the key properties of N-(4-dibenzofuran-2-ylcyclohexa-1,3-dien-1-yl)-N-(9,9-dimethyl-2,3,7,8-tetrahydrofluoren-2-yl)-7-methylspiro[4b,7,8,8a-tetrahydrofluorene-9,9'-fluorene]-2-amine?
N-(4-dibenzofuran-2-ylcyclohexa-1,3-dien-1-yl)-N-(9,9-dimethyl-2,3,7,8-tetrahydrofluoren-2-yl)-7-methylspiro[4b,7,8,8a-tetrahydrofluorene-9,9'-fluorene]-2-amine has a molecular weight of 790.06 g/mol, XLogP of 15.09, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-2-ylcyclohexa-1,3-dien-1-yl)-N-(9,9-dimethyl-2,3,7,8-tetrahydrofluoren-2-yl)-7-methylspiro[4b,7,8,8a-tetrahydrofluorene-9,9'-fluorene]-2-amine is sourced from PubChem (CID 178089659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).