N-(4-dibenzofuran-1-ylphenyl)-N-(7,7-diphenylbenzo[c]fluoren-5-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-amine

C78H48N2O — CID 135168037

IUPACN-(4-dibenzofuran-1-ylphenyl)-N-(7,7-diphenylbenzo[c]fluoren-5-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-amine
SMILESC1=CC=C(C=C1)C2(C3=CC=CC=C3C4=C2C=C(C5=CC=CC=C54)N(C6=CC=C(C=C6)C7=C8C9=CC=CC=C9OC8=CC=C7)C1=CC2=C(C=C1)C1=CC=CC=C1C21C2=CC=CC=C2N2C3=CC=CC=C3C3=C2C1=CC=C3)C1=CC=CC=C1
InChIInChI=1S/C78H48N2O/c1-3-21-50(22-4-1)77(51-23-5-2-6-24-51)64-34-14-10-29-61(64)74-59-28-8-7-26-57(59)71(48-68(74)77)79(52-43-41-49(42-44-52)54-31-20-40-73-75(54)62-30-12-18-39-72(62)81-73)53-45-46-56-55-25-9-13-33-63(55)78(67(56)47-53)65-35-15-17-38-70(65)80-69-37-16-11-27-58(69)60-32-19-36-66(78)76(60)80/h1-48H
InChIKeyHWHVCNZMVHUJGP-UHFFFAOYSA-N
MW1029.20 g/mol
LogP20.40
Rot. Bonds6

About N-(4-dibenzofuran-1-ylphenyl)-N-(7,7-diphenylbenzo[c]fluoren-5-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-amine

N-(4-dibenzofuran-1-ylphenyl)-N-(7,7-diphenylbenzo[c]fluoren-5-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-amine (PubChem CID 135168037) has the molecular formula C78H48N2O and a molecular weight of 1029.20 g/mol. Its IUPAC name is N-(4-dibenzofuran-1-ylphenyl)-N-(7,7-diphenylbenzo[c]fluoren-5-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-amine.

Molecular Properties

Compound NameN-(4-dibenzofuran-1-ylphenyl)-N-(7,7-diphenylbenzo[c]fluoren-5-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-amine
PubChem CID135168037
Molecular FormulaC78H48N2O
Molecular Weight1029.20 g/mol
Exact Mass1028.38
IUPAC NameN-(4-dibenzofuran-1-ylphenyl)-N-(7,7-diphenylbenzo[c]fluoren-5-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-amine
SMILESC1=CC=C(C=C1)C2(C3=CC=CC=C3C4=C2C=C(C5=CC=CC=C54)N(C6=CC=C(C=C6)C7=C8C9=CC=CC=C9OC8=CC=C7)C1=CC2=C(C=C1)C1=CC=CC=C1C21C2=CC=CC=C2N2C3=CC=CC=C3C3=C2C1=CC=C3)C1=CC=CC=C1
InChIInChI=1S/C78H48N2O/c1-3-21-50(22-4-1)77(51-23-5-2-6-24-51)64-34-14-10-29-61(64)74-59-28-8-7-26-57(59)71(48-68(74)77)79(52-43-41-49(42-44-52)54-31-20-40-73-75(54)62-30-12-18-39-72(62)81-73)53-45-46-56-55-25-9-13-33-63(55)78(67(56)47-53)65-35-15-17-38-70(65)80-69-37-16-11-27-58(69)60-32-19-36-66(78)76(60)80/h1-48H
InChIKeyHWHVCNZMVHUJGP-UHFFFAOYSA-N
XLogP20.40
TPSA21.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms81
Complexity2170

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001029.20
LogP ≤ 520.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(4-dibenzofuran-1-ylphenyl)-N-(7,7-diphenylbenzo[c]fluoren-5-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-amine with MolForge

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Related Compounds

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2-(1-Adamantyl)-5-[8-[7-[2-(1-adamantyl)-9-methylbenzo[b]carbazol-5-yl]dibenzofuran-2-yl]dibenzofuran-3-yl]-9-(trifluoromethyl)benzo[b]carbazole
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N-dibenzofuran-3-yl-N-[9-[(Z)-3-(2-fluoro-5-methylphenyl)-2-(4-phenylphenyl)prop-1-enyl]-2',6'-dimethylspiro[benzo[c]fluorene-7,1'-cyclohexane]-5-yl]-9-naphthalen-1-ylcarbazol-4-amine
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CID 90194050

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-1-ylphenyl)-N-(7,7-diphenylbenzo[c]fluoren-5-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-amine?
The IUPAC name of N-(4-dibenzofuran-1-ylphenyl)-N-(7,7-diphenylbenzo[c]fluoren-5-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-amine (CID 135168037) is N-(4-dibenzofuran-1-ylphenyl)-N-(7,7-diphenylbenzo[c]fluoren-5-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-amine.
What is the SMILES notation for N-(4-dibenzofuran-1-ylphenyl)-N-(7,7-diphenylbenzo[c]fluoren-5-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-amine?
The canonical SMILES for N-(4-dibenzofuran-1-ylphenyl)-N-(7,7-diphenylbenzo[c]fluoren-5-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-amine is C1=CC=C(C=C1)C2(C3=CC=CC=C3C4=C2C=C(C5=CC=CC=C54)N(C6=CC=C(C=C6)C7=C8C9=CC=CC=C9OC8=CC=C7)C1=CC2=C(C=C1)C1=CC=CC=C1C21C2=CC=CC=C2N2C3=CC=CC=C3C3=C2C1=CC=C3)C1=CC=CC=C1.
What is the InChIKey of N-(4-dibenzofuran-1-ylphenyl)-N-(7,7-diphenylbenzo[c]fluoren-5-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-amine?
The InChIKey is HWHVCNZMVHUJGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H48N2O/c1-3-21-50(22-4-1)77(51-23-5-2-6-24-51)64-34-14-10-29-61(64)74-59-28-8-7-26-57(59)71(48-68(74)77)79(52-43-41-49(42-44-52)54-31-20-40-73-75(54)62-30-12-18-39-72(62)81-73)53-45-46-56-55-25-9-13-33-63(55)78(67(56)47-53)65-35-15-17-38-70(65)80-69-37-16-11-27-58(69)60-32-19-36-66(78)76(60)80/h1-48H.
What are the key properties of N-(4-dibenzofuran-1-ylphenyl)-N-(7,7-diphenylbenzo[c]fluoren-5-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-amine?
N-(4-dibenzofuran-1-ylphenyl)-N-(7,7-diphenylbenzo[c]fluoren-5-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-amine has a molecular weight of 1029.20 g/mol, XLogP of 20.40, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-1-ylphenyl)-N-(7,7-diphenylbenzo[c]fluoren-5-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-amine is sourced from PubChem (CID 135168037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).