4'-(8-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]-4'-yl-10-spiro[benzo[a]fluorene-11,9'-fluorene]-4'-ylanthracen-1-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]

C105H60N2 — CID 155333575

IUPAC4'-(8-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]-4'-yl-10-spiro[benzo[a]fluorene-11,9'-fluorene]-4'-ylanthracen-1-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]
SMILESc1ccc2c(c1)-c1ccc3ccccc3c1C21c2ccccc2-c2c(-c3c4cccc(-c5cccc6c5-c5ccccc5C65c6ccccc6-n6c7ccccc7c7cccc5c76)c4cc4c(-c5cccc6c5-c5ccccc5C65c6ccccc6-n6c7ccccc7c7cccc5c76)cccc34)cccc21
InChIInChI=1S/C105H60N2/c1-2-27-62-61(26-1)58-59-72-65-28-3-9-43-81(65)105(100(62)72)84-46-12-6-33-77(84)99-78(42-25-51-89(99)105)96-70-36-19-34-63(68-38-21-49-87-97(68)75-31-4-10-44-82(75)103(87)85-47-13-17-56-94(85)106-92-54-15-7-29-66(92)73-40-23-52-90(103)101(73)106)79(70)60-80-64(35-20-37-71(80)96)69-39-22-50-88-98(69)76-32-5-11-45-83(76)104(88)86-48-14-18-57-95(86)107-93-55-16-8-30-67(93)74-41-24-53-91(104)102(74)107/h1-60H
InChIKeyWJRMAVKFWMOEKT-UHFFFAOYSA-N
MW1349.65 g/mol
LogP26.04
Rot. Bonds3

About 4'-(8-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]-4'-yl-10-spiro[benzo[a]fluorene-11,9'-fluorene]-4'-ylanthracen-1-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]

4'-(8-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]-4'-yl-10-spiro[benzo[a]fluorene-11,9'-fluorene]-4'-ylanthracen-1-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] (PubChem CID 155333575) has the molecular formula C105H60N2 and a molecular weight of 1349.65 g/mol. Its IUPAC name is 4'-(8-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]-4'-yl-10-spiro[benzo[a]fluorene-11,9'-fluorene]-4'-ylanthracen-1-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].

Molecular Properties

Compound Name4'-(8-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]-4'-yl-10-spiro[benzo[a]fluorene-11,9'-fluorene]-4'-ylanthracen-1-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]
PubChem CID155333575
Molecular FormulaC105H60N2
Molecular Weight1349.65 g/mol
Exact Mass1348.48
IUPAC Name4'-(8-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]-4'-yl-10-spiro[benzo[a]fluorene-11,9'-fluorene]-4'-ylanthracen-1-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]
SMILESc1ccc2c(c1)-c1ccc3ccccc3c1C21c2ccccc2-c2c(-c3c4cccc(-c5cccc6c5-c5ccccc5C65c6ccccc6-n6c7ccccc7c7cccc5c76)c4cc4c(-c5cccc6c5-c5ccccc5C65c6ccccc6-n6c7ccccc7c7cccc5c76)cccc34)cccc21
InChIInChI=1S/C105H60N2/c1-2-27-62-61(26-1)58-59-72-65-28-3-9-43-81(65)105(100(62)72)84-46-12-6-33-77(84)99-78(42-25-51-89(99)105)96-70-36-19-34-63(68-38-21-49-87-97(68)75-31-4-10-44-82(75)103(87)85-47-13-17-56-94(85)106-92-54-15-7-29-66(92)73-40-23-52-90(103)101(73)106)79(70)60-80-64(35-20-37-71(80)96)69-39-22-50-88-98(69)76-32-5-11-45-83(76)104(88)86-48-14-18-57-95(86)107-93-55-16-8-30-67(93)74-41-24-53-91(104)102(74)107/h1-60H
InChIKeyWJRMAVKFWMOEKT-UHFFFAOYSA-N
XLogP26.04
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms107
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001349.65
LogP ≤ 526.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 4'-(8-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]-4'-yl-10-spiro[benzo[a]fluorene-11,9'-fluorene]-4'-ylanthracen-1-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] 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

4'-(8-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]-4'-yl-10-spiro[benzo[g]fluorene-7,9'-fluorene]-8-ylanthracen-1-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]
CID 155334273
9-methyl-1-[8-(9-methylcarbazol-1-yl)-10-spiro[benzo[a]fluorene-11,9'-fluorene]-4'-ylanthracen-1-yl]carbazole
CID 146770471
4'-[4,5-bis(5-phenylbenzo[b]phosphindol-4-yl)anthracen-9-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]
CID 155334554
9-methyl-2-[8-(9-methylcarbazol-2-yl)-10-spiro[benzo[a]fluorene-11,9'-fluorene]-4'-ylanthracen-1-yl]carbazole
CID 155333547
ethane;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]
CID 158101812
2,4-diphenyl-6-[3-[2-(9,9'-spirobi[fluorene]-2-yl)naphthalen-1-yl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[2-(9,9'-spirobi[fluorene]-4'-yl)naphthalen-1-yl]phenyl]-1,3,5-triazine;2'-[1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-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]
CID 158048314
3-[8-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-3-yl)-10-spiro[benzo[c]fluorene-7,9'-fluorene]-11-ylanthracen-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 155334009
1-[8-(9,9-dimethylxanthen-1-yl)-10-spiro[benzo[a]fluorene-11,9'-fluorene]-4'-ylanthracen-1-yl]-9,9-dimethylxanthene
CID 155333385
N-naphthalen-1-yl-N-(2-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'-ylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 135168843
N-phenanthren-9-yl-N-(9,9'-spirobi[fluorene]-4-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]-4'-amine
CID 135168193
N-[2-(2-naphthalen-1-ylphenyl)phenyl]-N-phenanthren-2-ylspiro[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]-4'-amine
CID 135166404
N-(9,9-dimethylfluoren-4-yl)-N-spiro[benzo[c]fluorene-7,9'-fluorene]-2'-ylspiro[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 135167949

Frequently Asked Questions

What is the IUPAC name of 4'-(8-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]-4'-yl-10-spiro[benzo[a]fluorene-11,9'-fluorene]-4'-ylanthracen-1-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]?
The IUPAC name of 4'-(8-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]-4'-yl-10-spiro[benzo[a]fluorene-11,9'-fluorene]-4'-ylanthracen-1-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] (CID 155333575) is 4'-(8-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]-4'-yl-10-spiro[benzo[a]fluorene-11,9'-fluorene]-4'-ylanthracen-1-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].
What is the SMILES notation for 4'-(8-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]-4'-yl-10-spiro[benzo[a]fluorene-11,9'-fluorene]-4'-ylanthracen-1-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]?
The canonical SMILES for 4'-(8-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]-4'-yl-10-spiro[benzo[a]fluorene-11,9'-fluorene]-4'-ylanthracen-1-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] is c1ccc2c(c1)-c1ccc3ccccc3c1C21c2ccccc2-c2c(-c3c4cccc(-c5cccc6c5-c5ccccc5C65c6ccccc6-n6c7ccccc7c7cccc5c76)c4cc4c(-c5cccc6c5-c5ccccc5C65c6ccccc6-n6c7ccccc7c7cccc5c76)cccc34)cccc21.
What is the InChIKey of 4'-(8-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]-4'-yl-10-spiro[benzo[a]fluorene-11,9'-fluorene]-4'-ylanthracen-1-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]?
The InChIKey is WJRMAVKFWMOEKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C105H60N2/c1-2-27-62-61(26-1)58-59-72-65-28-3-9-43-81(65)105(100(62)72)84-46-12-6-33-77(84)99-78(42-25-51-89(99)105)96-70-36-19-34-63(68-38-21-49-87-97(68)75-31-4-10-44-82(75)103(87)85-47-13-17-56-94(85)106-92-54-15-7-29-66(92)73-40-23-52-90(103)101(73)106)79(70)60-80-64(35-20-37-71(80)96)69-39-22-50-88-98(69)76-32-5-11-45-83(76)104(88)86-48-14-18-57-95(86)107-93-55-16-8-30-67(93)74-41-24-53-91(104)102(74)107/h1-60H.
What are the key properties of 4'-(8-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]-4'-yl-10-spiro[benzo[a]fluorene-11,9'-fluorene]-4'-ylanthracen-1-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]?
4'-(8-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]-4'-yl-10-spiro[benzo[a]fluorene-11,9'-fluorene]-4'-ylanthracen-1-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] has a molecular weight of 1349.65 g/mol, XLogP of 26.04, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4'-(8-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]-4'-yl-10-spiro[benzo[a]fluorene-11,9'-fluorene]-4'-ylanthracen-1-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] is sourced from PubChem (CID 155333575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).