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]

C105H60N2 — CID 155334273

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[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]
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccc3ccccc3c2-c2cccc(-c3c4cccc(-c5cccc6c5-c5ccccc5C65c6ccccc6-n6c7ccccc7c7cccc5c76)c4cc4c(-c5cccc6c5-c5ccccc5C65c6ccccc6-n6c7ccccc7c7cccc5c76)cccc34)c21
InChIInChI=1S/C105H60N2/c1-2-27-62-61(26-1)58-59-89-97(62)78-43-21-42-77(100(78)105(89)81-44-9-3-28-65(81)66-29-4-10-45-82(66)105)96-71-36-19-34-63(69-38-22-50-87-98(69)75-32-5-11-46-83(75)103(87)85-48-13-17-56-94(85)106-92-54-15-7-30-67(92)73-40-24-52-90(103)101(73)106)79(71)60-80-64(35-20-37-72(80)96)70-39-23-51-88-99(70)76-33-6-12-47-84(76)104(88)86-49-14-18-57-95(86)107-93-55-16-8-31-68(93)74-41-25-53-91(104)102(74)107/h1-60H
InChIKeyVLTMUJVKYHWBHN-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[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]

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] (PubChem CID 155334273) 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[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].

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[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]
PubChem CID155334273
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[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]
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccc3ccccc3c2-c2cccc(-c3c4cccc(-c5cccc6c5-c5ccccc5C65c6ccccc6-n6c7ccccc7c7cccc5c76)c4cc4c(-c5cccc6c5-c5ccccc5C65c6ccccc6-n6c7ccccc7c7cccc5c76)cccc34)c21
InChIInChI=1S/C105H60N2/c1-2-27-62-61(26-1)58-59-89-97(62)78-43-21-42-77(100(78)105(89)81-44-9-3-28-65(81)66-29-4-10-45-82(66)105)96-71-36-19-34-63(69-38-22-50-87-98(69)75-32-5-11-46-83(75)103(87)85-48-13-17-56-94(85)106-92-54-15-7-30-67(92)73-40-24-52-90(103)101(73)106)79(71)60-80-64(35-20-37-72(80)96)70-39-23-51-88-99(70)76-33-6-12-47-84(76)104(88)86-49-14-18-57-95(86)107-93-55-16-8-31-68(93)74-41-25-53-91(104)102(74)107/h1-60H
InChIKeyVLTMUJVKYHWBHN-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[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] with MolForge

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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[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
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
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
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
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
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
N-(3-phenylphenyl)-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]-4'-amine
CID 135168156
N-naphthalen-2-yl-N-spiro[benzo[c]fluorene-7,9'-fluorene]-5-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 135168359
N-[2-(4-phenylphenyl)phenyl]-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]-4'-amine
CID 135168133
9-methyl-1-[8-(9-methylcarbazol-1-yl)-10-spiro[benzo[a]fluorene-11,9'-fluorene]-4'-ylanthracen-1-yl]carbazole
CID 146770471
17-phenanthren-2-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]
CID 90246618
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(7,7-diphenylbenzo[g]fluoren-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]-2'-amine
CID 135167951

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[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]?
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[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) 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[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].
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[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]?
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[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] is c1ccc2c(c1)-c1ccccc1C21c2ccc3ccccc3c2-c2cccc(-c3c4cccc(-c5cccc6c5-c5ccccc5C65c6ccccc6-n6c7ccccc7c7cccc5c76)c4cc4c(-c5cccc6c5-c5ccccc5C65c6ccccc6-n6c7ccccc7c7cccc5c76)cccc34)c21.
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[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]?
The InChIKey is VLTMUJVKYHWBHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C105H60N2/c1-2-27-62-61(26-1)58-59-89-97(62)78-43-21-42-77(100(78)105(89)81-44-9-3-28-65(81)66-29-4-10-45-82(66)105)96-71-36-19-34-63(69-38-22-50-87-98(69)75-32-5-11-46-83(75)103(87)85-48-13-17-56-94(85)106-92-54-15-7-30-67(92)73-40-24-52-90(103)101(73)106)79(71)60-80-64(35-20-37-72(80)96)70-39-23-51-88-99(70)76-33-6-12-47-84(76)104(88)86-49-14-18-57-95(86)107-93-55-16-8-31-68(93)74-41-25-53-91(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[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]?
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] 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[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] is sourced from PubChem (CID 155334273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).