10,23-bis(9,9'-spirobi[fluorene]-4'-yl)-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene

C74H43N — CID 140941897

IUPAC10,23-bis(9,9'-spirobi[fluorene]-4'-yl)-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene
SMILESc1ccc2c(c1)-c1cc(-c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)ccc1-n1c3ccccc3c3cc(-c4cccc5c4-c4ccccc4C54c5ccccc5-c5ccccc54)cc-2c31
InChIInChI=1S/C74H43N/c1-2-20-49-48(19-1)57-41-44(46-28-17-36-66-70(46)55-26-7-14-34-64(55)73(66)60-30-10-3-21-50(60)51-22-4-11-31-61(51)73)39-40-69(57)75-68-38-16-9-25-54(68)59-43-45(42-58(49)72(59)75)47-29-18-37-67-71(47)56-27-8-15-35-65(56)74(67)62-32-12-5-23-52(62)53-24-6-13-33-63(53)74/h1-43H
InChIKeyMHEZMHOPYJUZSN-UHFFFAOYSA-N
MW946.16 g/mol
LogP18.45
Rot. Bonds2

About 10,23-bis(9,9'-spirobi[fluorene]-4'-yl)-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene

10,23-bis(9,9'-spirobi[fluorene]-4'-yl)-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene (PubChem CID 140941897) has the molecular formula C74H43N and a molecular weight of 946.16 g/mol. Its IUPAC name is 10,23-bis(9,9'-spirobi[fluorene]-4'-yl)-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene.

Molecular Properties

Compound Name10,23-bis(9,9'-spirobi[fluorene]-4'-yl)-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene
PubChem CID140941897
Molecular FormulaC74H43N
Molecular Weight946.16 g/mol
Exact Mass945.34
IUPAC Name10,23-bis(9,9'-spirobi[fluorene]-4'-yl)-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene
SMILESc1ccc2c(c1)-c1cc(-c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)ccc1-n1c3ccccc3c3cc(-c4cccc5c4-c4ccccc4C54c5ccccc5-c5ccccc54)cc-2c31
InChIInChI=1S/C74H43N/c1-2-20-49-48(19-1)57-41-44(46-28-17-36-66-70(46)55-26-7-14-34-64(55)73(66)60-30-10-3-21-50(60)51-22-4-11-31-61(51)73)39-40-69(57)75-68-38-16-9-25-54(68)59-43-45(42-58(49)72(59)75)47-29-18-37-67-71(47)56-27-8-15-35-65(56)74(67)62-32-12-5-23-52(62)53-24-6-13-33-63(53)74/h1-43H
InChIKeyMHEZMHOPYJUZSN-UHFFFAOYSA-N
XLogP18.45
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500946.16
LogP ≤ 518.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 10,23-bis(9,9'-spirobi[fluorene]-4'-yl)-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene with MolForge

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Related Compounds

10,23-bis(9,9-dimethylfluoren-4-yl)-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene
CID 121446814
3-phenyl-9-(9,9'-spirobi[fluorene]-4-yl)carbazole
CID 126538623
10,23-di(triphenylen-2-yl)-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene
CID 121446866
9-[4-carbazol-9-yl-6-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 168742739
9-phenyl-3-(9-phenylcarbazol-3-yl)-6-[10-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-9,9'-spirobi[fluorene]-4'-yl]triphenylen-2-yl]carbazole
CID 134440451
3-(9,9-dimethylfluoren-2-yl)-9-(9,9'-spirobi[fluorene]-4-yl)carbazole
CID 170015355
15-phenyl-4'-(9-phenylcarbazol-3-yl)spiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene-8,9'-fluorene]
CID 129262721
23-carbazol-9-yl-10-phenyl-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene
CID 121446892
2-[2-(9,9-diphenylfluoren-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[2-(9,9-diphenylfluoren-4-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2'-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]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 157246893
12'-[2-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole]
CID 169014850
9-(2'-phenyl-9,9'-spirobi[fluorene]-4-yl)carbazole
CID 129258967
3,12-diphenyl-11-[4-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 154596185

Frequently Asked Questions

What is the IUPAC name of 10,23-bis(9,9'-spirobi[fluorene]-4'-yl)-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene?
The IUPAC name of 10,23-bis(9,9'-spirobi[fluorene]-4'-yl)-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene (CID 140941897) is 10,23-bis(9,9'-spirobi[fluorene]-4'-yl)-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene.
What is the SMILES notation for 10,23-bis(9,9'-spirobi[fluorene]-4'-yl)-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene?
The canonical SMILES for 10,23-bis(9,9'-spirobi[fluorene]-4'-yl)-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene is c1ccc2c(c1)-c1cc(-c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)ccc1-n1c3ccccc3c3cc(-c4cccc5c4-c4ccccc4C54c5ccccc5-c5ccccc54)cc-2c31.
What is the InChIKey of 10,23-bis(9,9'-spirobi[fluorene]-4'-yl)-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene?
The InChIKey is MHEZMHOPYJUZSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H43N/c1-2-20-49-48(19-1)57-41-44(46-28-17-36-66-70(46)55-26-7-14-34-64(55)73(66)60-30-10-3-21-50(60)51-22-4-11-31-61(51)73)39-40-69(57)75-68-38-16-9-25-54(68)59-43-45(42-58(49)72(59)75)47-29-18-37-67-71(47)56-27-8-15-35-65(56)74(67)62-32-12-5-23-52(62)53-24-6-13-33-63(53)74/h1-43H.
What are the key properties of 10,23-bis(9,9'-spirobi[fluorene]-4'-yl)-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene?
10,23-bis(9,9'-spirobi[fluorene]-4'-yl)-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene has a molecular weight of 946.16 g/mol, XLogP of 18.45, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10,23-bis(9,9'-spirobi[fluorene]-4'-yl)-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene is sourced from PubChem (CID 140941897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).