2-[4-[4-[(9,9-diphenylfluoren-3-yl)-(9,9'-spirobi[fluorene]-3-yl)amino]phenyl]-9-(1-methylnaphthalen-2-yl)fluoren-9-yl]naphthalen-1-ol

C90H59NO — CID 135229500

IUPAC2-[4-[4-[(9,9-diphenylfluoren-3-yl)-(9,9'-spirobi[fluorene]-3-yl)amino]phenyl]-9-(1-methylnaphthalen-2-yl)fluoren-9-yl]naphthalen-1-ol
SMILESCc1c(C2(c3ccc4ccccc4c3O)c3ccccc3-c3c(-c4ccc(N(c5ccc6c(c5)-c5ccccc5C6(c5ccccc5)c5ccccc5)c5ccc6c(c5)-c5ccccc5C65c6ccccc6-c6ccccc65)cc4)cccc32)ccc2ccccc12
InChIInChI=1S/C90H59NO/c1-57-66-29-10-8-23-58(66)45-51-76(57)89(85-52-46-59-24-9-11-30-68(59)87(85)92)81-41-21-16-35-73(81)86-67(36-22-42-84(86)89)60-43-47-63(48-44-60)91(64-49-53-82-74(55-64)71-33-14-17-37-77(71)88(82,61-25-4-2-5-26-61)62-27-6-3-7-28-62)65-50-54-83-75(56-65)72-34-15-20-40-80(72)90(83)78-38-18-12-31-69(78)70-32-13-19-39-79(70)90/h2-56,92H,1H3
InChIKeyOBUCFFIWJZLREV-UHFFFAOYSA-N
MW1170.47 g/mol
LogP22.21
Rot. Bonds8

About 2-[4-[4-[(9,9-diphenylfluoren-3-yl)-(9,9'-spirobi[fluorene]-3-yl)amino]phenyl]-9-(1-methylnaphthalen-2-yl)fluoren-9-yl]naphthalen-1-ol

2-[4-[4-[(9,9-diphenylfluoren-3-yl)-(9,9'-spirobi[fluorene]-3-yl)amino]phenyl]-9-(1-methylnaphthalen-2-yl)fluoren-9-yl]naphthalen-1-ol (PubChem CID 135229500) has the molecular formula C90H59NO and a molecular weight of 1170.47 g/mol. Its IUPAC name is 2-[4-[4-[(9,9-diphenylfluoren-3-yl)-(9,9'-spirobi[fluorene]-3-yl)amino]phenyl]-9-(1-methylnaphthalen-2-yl)fluoren-9-yl]naphthalen-1-ol.

Molecular Properties

Compound Name2-[4-[4-[(9,9-diphenylfluoren-3-yl)-(9,9'-spirobi[fluorene]-3-yl)amino]phenyl]-9-(1-methylnaphthalen-2-yl)fluoren-9-yl]naphthalen-1-ol
PubChem CID135229500
Molecular FormulaC90H59NO
Molecular Weight1170.47 g/mol
Exact Mass1169.46
IUPAC Name2-[4-[4-[(9,9-diphenylfluoren-3-yl)-(9,9'-spirobi[fluorene]-3-yl)amino]phenyl]-9-(1-methylnaphthalen-2-yl)fluoren-9-yl]naphthalen-1-ol
SMILESCc1c(C2(c3ccc4ccccc4c3O)c3ccccc3-c3c(-c4ccc(N(c5ccc6c(c5)-c5ccccc5C6(c5ccccc5)c5ccccc5)c5ccc6c(c5)-c5ccccc5C65c6ccccc6-c6ccccc65)cc4)cccc32)ccc2ccccc12
InChIInChI=1S/C90H59NO/c1-57-66-29-10-8-23-58(66)45-51-76(57)89(85-52-46-59-24-9-11-30-68(59)87(85)92)81-41-21-16-35-73(81)86-67(36-22-42-84(86)89)60-43-47-63(48-44-60)91(64-49-53-82-74(55-64)71-33-14-17-37-77(71)88(82,61-25-4-2-5-26-61)62-27-6-3-7-28-62)65-50-54-83-75(56-65)72-34-15-20-40-80(72)90(83)78-38-18-12-31-69(78)70-32-13-19-39-79(70)90/h2-56,92H,1H3
InChIKeyOBUCFFIWJZLREV-UHFFFAOYSA-N
XLogP22.21
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms92
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001170.47
LogP ≤ 522.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[4-[4-[(9,9-diphenylfluoren-3-yl)-(9,9'-spirobi[fluorene]-3-yl)amino]phenyl]-9-(1-methylnaphthalen-2-yl)fluoren-9-yl]naphthalen-1-ol with MolForge

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Related Compounds

2-[4-[4-[(9,9-diphenylfluoren-4-yl)amino]phenyl]-9-(1-methylnaphthalen-2-yl)fluoren-9-yl]naphthalen-1-ol
CID 145292020
N-(9,9-diphenylfluoren-3-yl)-N-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-ylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 135229849
N-[6-[4-[3-[4-(N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-4-phenylanilino)phenyl]phenyl]phenyl]naphthalen-2-yl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-3-amine
CID 139394427
N-naphthalen-2-yl-4'-[4-[4-[naphthalen-1-yl(9,9'-spirobi[fluorene]-3-yl)amino]phenyl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine
CID 167177958
N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-(4-phenylphenyl)aniline
CID 169019849
N-(9,9-diphenylfluoren-3-yl)-N-(4-phenanthren-3-ylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 121423713
N,N-bis(4-phenanthren-3-ylphenyl)-9,9-diphenylfluoren-3-amine
CID 142614757
N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)phenanthren-3-amine
CID 142589057
7-(9,9-diphenylfluoren-4-yl)-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-phenylfluoren-2-amine
CID 140919841
N-(4-dibenzofuran-1-ylphenyl)-9,9-diphenyl-N-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-ylphenyl)fluoren-2-amine
CID 135229539
N-phenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]-9,9'-spirobi[fluorene]-3-amine
CID 139352859
11,11-dimethyl-N-phenyl-N-[4-[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]benzo[a]fluoren-8-amine
CID 156524620

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[(9,9-diphenylfluoren-3-yl)-(9,9'-spirobi[fluorene]-3-yl)amino]phenyl]-9-(1-methylnaphthalen-2-yl)fluoren-9-yl]naphthalen-1-ol?
The IUPAC name of 2-[4-[4-[(9,9-diphenylfluoren-3-yl)-(9,9'-spirobi[fluorene]-3-yl)amino]phenyl]-9-(1-methylnaphthalen-2-yl)fluoren-9-yl]naphthalen-1-ol (CID 135229500) is 2-[4-[4-[(9,9-diphenylfluoren-3-yl)-(9,9'-spirobi[fluorene]-3-yl)amino]phenyl]-9-(1-methylnaphthalen-2-yl)fluoren-9-yl]naphthalen-1-ol.
What is the SMILES notation for 2-[4-[4-[(9,9-diphenylfluoren-3-yl)-(9,9'-spirobi[fluorene]-3-yl)amino]phenyl]-9-(1-methylnaphthalen-2-yl)fluoren-9-yl]naphthalen-1-ol?
The canonical SMILES for 2-[4-[4-[(9,9-diphenylfluoren-3-yl)-(9,9'-spirobi[fluorene]-3-yl)amino]phenyl]-9-(1-methylnaphthalen-2-yl)fluoren-9-yl]naphthalen-1-ol is Cc1c(C2(c3ccc4ccccc4c3O)c3ccccc3-c3c(-c4ccc(N(c5ccc6c(c5)-c5ccccc5C6(c5ccccc5)c5ccccc5)c5ccc6c(c5)-c5ccccc5C65c6ccccc6-c6ccccc65)cc4)cccc32)ccc2ccccc12.
What is the InChIKey of 2-[4-[4-[(9,9-diphenylfluoren-3-yl)-(9,9'-spirobi[fluorene]-3-yl)amino]phenyl]-9-(1-methylnaphthalen-2-yl)fluoren-9-yl]naphthalen-1-ol?
The InChIKey is OBUCFFIWJZLREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C90H59NO/c1-57-66-29-10-8-23-58(66)45-51-76(57)89(85-52-46-59-24-9-11-30-68(59)87(85)92)81-41-21-16-35-73(81)86-67(36-22-42-84(86)89)60-43-47-63(48-44-60)91(64-49-53-82-74(55-64)71-33-14-17-37-77(71)88(82,61-25-4-2-5-26-61)62-27-6-3-7-28-62)65-50-54-83-75(56-65)72-34-15-20-40-80(72)90(83)78-38-18-12-31-69(78)70-32-13-19-39-79(70)90/h2-56,92H,1H3.
What are the key properties of 2-[4-[4-[(9,9-diphenylfluoren-3-yl)-(9,9'-spirobi[fluorene]-3-yl)amino]phenyl]-9-(1-methylnaphthalen-2-yl)fluoren-9-yl]naphthalen-1-ol?
2-[4-[4-[(9,9-diphenylfluoren-3-yl)-(9,9'-spirobi[fluorene]-3-yl)amino]phenyl]-9-(1-methylnaphthalen-2-yl)fluoren-9-yl]naphthalen-1-ol has a molecular weight of 1170.47 g/mol, XLogP of 22.21, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[(9,9-diphenylfluoren-3-yl)-(9,9'-spirobi[fluorene]-3-yl)amino]phenyl]-9-(1-methylnaphthalen-2-yl)fluoren-9-yl]naphthalen-1-ol is sourced from PubChem (CID 135229500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).