N-dibenzofuran-1-yl-9,9-dimethyl-N-[4-(3-tetracyclo[5.2.1.03,8.05,8]decanyl)phenyl]spiro[anthracene-10,9'-xanthene]-2'-amine

C56H45NO2 — CID 163739160

IUPACN-dibenzofuran-1-yl-9,9-dimethyl-N-[4-(3-tetracyclo[5.2.1.03,8.05,8]decanyl)phenyl]spiro[anthracene-10,9'-xanthene]-2'-amine
SMILESCC1(C)c2ccccc2C2(c3ccccc3Oc3ccc(N(c4ccc(C56CC7CC8CC(C5)C86C7)cc4)c4cccc5oc6ccccc6c45)cc32)c2ccccc21
InChIInChI=1S/C56H45NO2/c1-53(2)41-13-4-6-15-43(41)56(44-16-7-5-14-42(44)53)45-17-8-10-20-49(45)59-50-27-26-39(30-46(50)56)57(47-18-11-21-51-52(47)40-12-3-9-19-48(40)58-51)38-24-22-35(23-25-38)54-31-34-28-36-29-37(33-54)55(36,54)32-34/h3-27,30,34,36-37H,28-29,31-33H2,1-2H3
InChIKeyLGGQRZCGJPONDO-UHFFFAOYSA-N
MW763.98 g/mol
LogP14.26
Rot. Bonds4

About N-dibenzofuran-1-yl-9,9-dimethyl-N-[4-(3-tetracyclo[5.2.1.03,8.05,8]decanyl)phenyl]spiro[anthracene-10,9'-xanthene]-2'-amine

N-dibenzofuran-1-yl-9,9-dimethyl-N-[4-(3-tetracyclo[5.2.1.03,8.05,8]decanyl)phenyl]spiro[anthracene-10,9'-xanthene]-2'-amine (PubChem CID 163739160) has the molecular formula C56H45NO2 and a molecular weight of 763.98 g/mol. Its IUPAC name is N-dibenzofuran-1-yl-9,9-dimethyl-N-[4-(3-tetracyclo[5.2.1.03,8.05,8]decanyl)phenyl]spiro[anthracene-10,9'-xanthene]-2'-amine.

Molecular Properties

Compound NameN-dibenzofuran-1-yl-9,9-dimethyl-N-[4-(3-tetracyclo[5.2.1.03,8.05,8]decanyl)phenyl]spiro[anthracene-10,9'-xanthene]-2'-amine
PubChem CID163739160
Molecular FormulaC56H45NO2
Molecular Weight763.98 g/mol
Exact Mass763.35
IUPAC NameN-dibenzofuran-1-yl-9,9-dimethyl-N-[4-(3-tetracyclo[5.2.1.03,8.05,8]decanyl)phenyl]spiro[anthracene-10,9'-xanthene]-2'-amine
SMILESCC1(C)c2ccccc2C2(c3ccccc3Oc3ccc(N(c4ccc(C56CC7CC8CC(C5)C86C7)cc4)c4cccc5oc6ccccc6c45)cc32)c2ccccc21
InChIInChI=1S/C56H45NO2/c1-53(2)41-13-4-6-15-43(41)56(44-16-7-5-14-42(44)53)45-17-8-10-20-49(45)59-50-27-26-39(30-46(50)56)57(47-18-11-21-51-52(47)40-12-3-9-19-48(40)58-51)38-24-22-35(23-25-38)54-31-34-28-36-29-37(33-54)55(36,54)32-34/h3-27,30,34,36-37H,28-29,31-33H2,1-2H3
InChIKeyLGGQRZCGJPONDO-UHFFFAOYSA-N
XLogP14.26
TPSA25.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500763.98
LogP ≤ 514.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-dibenzofuran-1-yl-9,9-dimethyl-N-[4-(3-tetracyclo[5.2.1.03,8.05,8]decanyl)phenyl]spiro[anthracene-10,9'-xanthene]-2'-amine with MolForge

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Related Compounds

N-dibenzofuran-1-yl-N-phenylspiro[thioxanthene-9,9'-xanthene]-2'-amine
CID 146720375
N-dibenzofuran-1-yl-N-(9,9-dimethylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 176763170
4-N-dibenzofuran-1-yl-1-N,1-N-diphenyl-4-N-spiro[fluorene-9,9'-xanthene]-2-ylbenzene-1,4-diamine
CID 166959985
N-dibenzofuran-1-yl-N-spiro[fluorene-9,9'-xanthene]-3-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138476859
N-dibenzofuran-1-yl-N-(8-phenyldibenzofuran-1-yl)spiro[fluorene-9,9'-xanthene]-2'-amine
CID 169315784
N-dibenzofuran-1-yl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-3-amine
CID 138476111
N-(4-cyclohexylphenyl)-N-[4-[2-[4-(N-phenylanilino)phenyl]-2-bicyclo[2.2.1]heptanyl]phenyl]dibenzofuran-1-amine
CID 168810513
N-dibenzofuran-1-yl-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138476554
N-(4-cyclohexylphenyl)-N-[4-(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)phenyl]dibenzofuran-1-amine
CID 170129496
N,N-bis(4-phenylphenyl)spiro[adamantane-2,9'-xanthene]-2'-amine;N-[4-(2-dibenzofuran-1-ylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)spiro[adamantane-2,9'-fluorene]-4'-amine;N-(9,9-dimethylfluoren-2-yl)-N-phenylspiro[adamantane-2,9'-xanthene]-2'-amine;N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]spiro[adamantane-2,9'-xanthene]-2'-amine
CID 158937310
2',7'-dicyclohexyl-N-(2-dibenzofuran-1-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 174286785
4'-(1-adamantyl)-N-dibenzofuran-1-yl-N-dibenzothiophen-2-ylspiro[fluorene-9,9'-xanthene]-2'-amine
CID 168799019

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-1-yl-9,9-dimethyl-N-[4-(3-tetracyclo[5.2.1.03,8.05,8]decanyl)phenyl]spiro[anthracene-10,9'-xanthene]-2'-amine?
The IUPAC name of N-dibenzofuran-1-yl-9,9-dimethyl-N-[4-(3-tetracyclo[5.2.1.03,8.05,8]decanyl)phenyl]spiro[anthracene-10,9'-xanthene]-2'-amine (CID 163739160) is N-dibenzofuran-1-yl-9,9-dimethyl-N-[4-(3-tetracyclo[5.2.1.03,8.05,8]decanyl)phenyl]spiro[anthracene-10,9'-xanthene]-2'-amine.
What is the SMILES notation for N-dibenzofuran-1-yl-9,9-dimethyl-N-[4-(3-tetracyclo[5.2.1.03,8.05,8]decanyl)phenyl]spiro[anthracene-10,9'-xanthene]-2'-amine?
The canonical SMILES for N-dibenzofuran-1-yl-9,9-dimethyl-N-[4-(3-tetracyclo[5.2.1.03,8.05,8]decanyl)phenyl]spiro[anthracene-10,9'-xanthene]-2'-amine is CC1(C)c2ccccc2C2(c3ccccc3Oc3ccc(N(c4ccc(C56CC7CC8CC(C5)C86C7)cc4)c4cccc5oc6ccccc6c45)cc32)c2ccccc21.
What is the InChIKey of N-dibenzofuran-1-yl-9,9-dimethyl-N-[4-(3-tetracyclo[5.2.1.03,8.05,8]decanyl)phenyl]spiro[anthracene-10,9'-xanthene]-2'-amine?
The InChIKey is LGGQRZCGJPONDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H45NO2/c1-53(2)41-13-4-6-15-43(41)56(44-16-7-5-14-42(44)53)45-17-8-10-20-49(45)59-50-27-26-39(30-46(50)56)57(47-18-11-21-51-52(47)40-12-3-9-19-48(40)58-51)38-24-22-35(23-25-38)54-31-34-28-36-29-37(33-54)55(36,54)32-34/h3-27,30,34,36-37H,28-29,31-33H2,1-2H3.
What are the key properties of N-dibenzofuran-1-yl-9,9-dimethyl-N-[4-(3-tetracyclo[5.2.1.03,8.05,8]decanyl)phenyl]spiro[anthracene-10,9'-xanthene]-2'-amine?
N-dibenzofuran-1-yl-9,9-dimethyl-N-[4-(3-tetracyclo[5.2.1.03,8.05,8]decanyl)phenyl]spiro[anthracene-10,9'-xanthene]-2'-amine has a molecular weight of 763.98 g/mol, XLogP of 14.26, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-1-yl-9,9-dimethyl-N-[4-(3-tetracyclo[5.2.1.03,8.05,8]decanyl)phenyl]spiro[anthracene-10,9'-xanthene]-2'-amine is sourced from PubChem (CID 163739160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).