N-(9,9'-spirobi[fluorene]-3-yl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-amine

C68H41N — CID 130308589

IUPACN-(9,9'-spirobi[fluorene]-3-yl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-amine
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2cc(N(c3ccc4c(c3)-c3ccccc3C43c4ccccc4-c4ccccc43)c3ccc4c5ccccc5c5ccccc5c4c3)ccc21
InChIInChI=1S/C68H41N/c1-2-19-47-45(17-1)46-18-3-4-20-48(46)56-39-42(33-36-49(47)56)69(43-34-37-65-57(40-43)54-25-9-15-31-63(54)67(65)59-27-11-5-21-50(59)51-22-6-12-28-60(51)67)44-35-38-66-58(41-44)55-26-10-16-32-64(55)68(66)61-29-13-7-23-52(61)53-24-8-14-30-62(53)68/h1-41H
InChIKeyQBVZFLGNKKIROL-UHFFFAOYSA-N
MW872.08 g/mol
LogP17.30
Rot. Bonds3

About N-(9,9'-spirobi[fluorene]-3-yl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-amine

N-(9,9'-spirobi[fluorene]-3-yl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-amine (PubChem CID 130308589) has the molecular formula C68H41N and a molecular weight of 872.08 g/mol. Its IUPAC name is N-(9,9'-spirobi[fluorene]-3-yl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-amine.

Molecular Properties

Compound NameN-(9,9'-spirobi[fluorene]-3-yl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-amine
PubChem CID130308589
Molecular FormulaC68H41N
Molecular Weight872.08 g/mol
Exact Mass871.32
IUPAC NameN-(9,9'-spirobi[fluorene]-3-yl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-amine
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2cc(N(c3ccc4c(c3)-c3ccccc3C43c4ccccc4-c4ccccc43)c3ccc4c5ccccc5c5ccccc5c4c3)ccc21
InChIInChI=1S/C68H41N/c1-2-19-47-45(17-1)46-18-3-4-20-48(46)56-39-42(33-36-49(47)56)69(43-34-37-65-57(40-43)54-25-9-15-31-63(54)67(65)59-27-11-5-21-50(59)51-22-6-12-28-60(51)67)44-35-38-66-58(41-44)55-26-10-16-32-64(55)68(66)61-29-13-7-23-52(61)53-24-8-14-30-62(53)68/h1-41H
InChIKeyQBVZFLGNKKIROL-UHFFFAOYSA-N
XLogP17.30
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500872.08
LogP ≤ 517.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-(4-methylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-amine
CID 134568085
N-(3-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-amine
CID 130308471
N-(4-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2-amine
CID 130308450
N-[4-(4-phenylphenyl)phenyl]-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]triphenylen-2-amine
CID 130308912
N-phenyl-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]triphenylen-2-amine
CID 134568039
3-N,3-N,3-N',3-N'-tetrakis(4-phenylphenyl)-9,9'-spirobi[fluorene]-3,3'-diamine
CID 167236339
N-(9,9-dimethylfluoren-3-yl)-N-(4-phenylphenyl)triphenylen-2-amine
CID 176605475
N-[4-(3-dibenzofuran-3-ylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-amine
CID 130308762
N,N-bis(9,9-diphenylfluoren-3-yl)-9,9-diphenylfluoren-3-amine
CID 121423738
N-(9,9'-spirobi[fluorene]-3-yl)-N-triphenylen-1-yl-9,9'-spirobi[fluorene]-2-amine
CID 130309032
N-(2-dibenzothiophen-1-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-amine
CID 130308789
N-(4-tert-butylcyclohexa-1,3-dien-1-yl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-amine
CID 155483675

Frequently Asked Questions

What is the IUPAC name of N-(9,9'-spirobi[fluorene]-3-yl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-amine?
The IUPAC name of N-(9,9'-spirobi[fluorene]-3-yl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-amine (CID 130308589) is N-(9,9'-spirobi[fluorene]-3-yl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-amine.
What is the SMILES notation for N-(9,9'-spirobi[fluorene]-3-yl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-amine?
The canonical SMILES for N-(9,9'-spirobi[fluorene]-3-yl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-amine is c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2cc(N(c3ccc4c(c3)-c3ccccc3C43c4ccccc4-c4ccccc43)c3ccc4c5ccccc5c5ccccc5c4c3)ccc21.
What is the InChIKey of N-(9,9'-spirobi[fluorene]-3-yl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-amine?
The InChIKey is QBVZFLGNKKIROL-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H41N/c1-2-19-47-45(17-1)46-18-3-4-20-48(46)56-39-42(33-36-49(47)56)69(43-34-37-65-57(40-43)54-25-9-15-31-63(54)67(65)59-27-11-5-21-50(59)51-22-6-12-28-60(51)67)44-35-38-66-58(41-44)55-26-10-16-32-64(55)68(66)61-29-13-7-23-52(61)53-24-8-14-30-62(53)68/h1-41H.
What are the key properties of N-(9,9'-spirobi[fluorene]-3-yl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-amine?
N-(9,9'-spirobi[fluorene]-3-yl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-amine has a molecular weight of 872.08 g/mol, XLogP of 17.30, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9'-spirobi[fluorene]-3-yl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-amine is sourced from PubChem (CID 130308589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).