N-phenanthren-9-yl-N-tetraphenylen-2-yl-9,9'-spirobi[fluorene]-2-amine

C63H39N — CID 139297927

IUPACN-phenanthren-9-yl-N-tetraphenylen-2-yl-9,9'-spirobi[fluorene]-2-amine
SMILESc1ccc2c(c1)-c1ccccc1-c1ccc(N(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3cc4ccccc4c4ccccc34)cc1-c1ccccc1-2
InChIInChI=1S/C63H39N/c1-2-18-43-40(17-1)37-62(56-29-10-9-19-44(43)56)64(41-33-35-51-49-24-6-5-22-47(49)45-20-3-4-21-46(45)48-23-7-8-25-50(48)57(51)38-41)42-34-36-55-54-28-13-16-32-60(54)63(61(55)39-42)58-30-14-11-26-52(58)53-27-12-15-31-59(53)63/h1-39H/b47-45-,48-46-,51-49-,57-50-
InChIKeyVUMNCJNYAJUKMR-SGZNUILGSA-N
MW810.01 g/mol
LogP16.79
Rot. Bonds3

About N-phenanthren-9-yl-N-tetraphenylen-2-yl-9,9'-spirobi[fluorene]-2-amine

N-phenanthren-9-yl-N-tetraphenylen-2-yl-9,9'-spirobi[fluorene]-2-amine (PubChem CID 139297927) has the molecular formula C63H39N and a molecular weight of 810.01 g/mol. Its IUPAC name is N-phenanthren-9-yl-N-tetraphenylen-2-yl-9,9'-spirobi[fluorene]-2-amine.

Molecular Properties

Compound NameN-phenanthren-9-yl-N-tetraphenylen-2-yl-9,9'-spirobi[fluorene]-2-amine
PubChem CID139297927
Molecular FormulaC63H39N
Molecular Weight810.01 g/mol
Exact Mass809.31
IUPAC NameN-phenanthren-9-yl-N-tetraphenylen-2-yl-9,9'-spirobi[fluorene]-2-amine
SMILESc1ccc2c(c1)-c1ccccc1-c1ccc(N(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3cc4ccccc4c4ccccc34)cc1-c1ccccc1-2
InChIInChI=1S/C63H39N/c1-2-18-43-40(17-1)37-62(56-29-10-9-19-44(43)56)64(41-33-35-51-49-24-6-5-22-47(49)45-20-3-4-21-46(45)48-23-7-8-25-50(48)57(51)38-41)42-34-36-55-54-28-13-16-32-60(54)63(61(55)39-42)58-30-14-11-26-52(58)53-27-12-15-31-59(53)63/h1-39H/b47-45-,48-46-,51-49-,57-50-
InChIKeyVUMNCJNYAJUKMR-SGZNUILGSA-N
XLogP16.79
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500810.01
LogP ≤ 516.79
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-phenanthren-9-yl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 155303586
N-(9,9-diphenylfluoren-2-yl)-N-phenylphenanthren-9-amine
CID 142589088
N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)phenanthren-9-amine
CID 142589044
N-(9,9-diphenylfluoren-2-yl)-N-[4-(2-phenylphenyl)phenyl]phenanthren-9-amine
CID 153471165
N-(9,9-diphenylfluoren-2-yl)-N-(9-methyl-9-phenylfluoren-2-yl)phenanthren-9-amine
CID 171453294
11-N',17-N'-dinaphthalen-1-yl-11-N',17-N'-diphenylspiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene]-11',17'-diamine
CID 130262417
N-(2-naphthalen-1-yl-3-phenanthren-9-ylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine
CID 177274818
N-(9,9-diphenylfluoren-2-yl)-N-phenanthren-9-yldibenzofuran-2-amine
CID 118405737
N-(9,9'-spirobi[fluorene]-3-yl)-N-triphenylen-1-yl-9,9'-spirobi[fluorene]-2-amine
CID 130309032
N-(9,9-diphenylfluoren-3-yl)-N-[4-(4-phenylphenyl)phenyl]phenanthren-9-amine
CID 155304646
N-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]phenanthren-9-amine
CID 134464834
N-(9,9-dimethylfluoren-2-yl)-N-[7-[(E)-2-[7-[(E)-2-[7-[(9,9-dimethylfluoren-2-yl)-phenanthren-9-ylamino]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]phenanthren-9-amine
CID 59246566

Frequently Asked Questions

What is the IUPAC name of N-phenanthren-9-yl-N-tetraphenylen-2-yl-9,9'-spirobi[fluorene]-2-amine?
The IUPAC name of N-phenanthren-9-yl-N-tetraphenylen-2-yl-9,9'-spirobi[fluorene]-2-amine (CID 139297927) is N-phenanthren-9-yl-N-tetraphenylen-2-yl-9,9'-spirobi[fluorene]-2-amine.
What is the SMILES notation for N-phenanthren-9-yl-N-tetraphenylen-2-yl-9,9'-spirobi[fluorene]-2-amine?
The canonical SMILES for N-phenanthren-9-yl-N-tetraphenylen-2-yl-9,9'-spirobi[fluorene]-2-amine is c1ccc2c(c1)-c1ccccc1-c1ccc(N(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3cc4ccccc4c4ccccc34)cc1-c1ccccc1-2.
What is the InChIKey of N-phenanthren-9-yl-N-tetraphenylen-2-yl-9,9'-spirobi[fluorene]-2-amine?
The InChIKey is VUMNCJNYAJUKMR-SGZNUILGSA-N. The full InChI is InChI=1S/C63H39N/c1-2-18-43-40(17-1)37-62(56-29-10-9-19-44(43)56)64(41-33-35-51-49-24-6-5-22-47(49)45-20-3-4-21-46(45)48-23-7-8-25-50(48)57(51)38-41)42-34-36-55-54-28-13-16-32-60(54)63(61(55)39-42)58-30-14-11-26-52(58)53-27-12-15-31-59(53)63/h1-39H/b47-45-,48-46-,51-49-,57-50-.
What are the key properties of N-phenanthren-9-yl-N-tetraphenylen-2-yl-9,9'-spirobi[fluorene]-2-amine?
N-phenanthren-9-yl-N-tetraphenylen-2-yl-9,9'-spirobi[fluorene]-2-amine has a molecular weight of 810.01 g/mol, XLogP of 16.79, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenanthren-9-yl-N-tetraphenylen-2-yl-9,9'-spirobi[fluorene]-2-amine is sourced from PubChem (CID 139297927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).