N-(9,9-dimethylfluoren-4-yl)-N-phenanthren-2-yl-9,9'-spirobi[fluorene]-1-amine

C54H37N — CID 135271123

IUPACN-(9,9-dimethylfluoren-4-yl)-N-phenanthren-2-yl-9,9'-spirobi[fluorene]-1-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc4c(ccc5ccccc54)c3)c3cccc4c3C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cccc21
InChIInChI=1S/C54H37N/c1-53(2)44-22-9-8-20-43(44)51-48(53)26-14-27-49(51)55(36-31-32-38-35(33-36)30-29-34-15-3-4-16-37(34)38)50-28-13-21-42-41-19-7-12-25-47(41)54(52(42)50)45-23-10-5-17-39(45)40-18-6-11-24-46(40)54/h3-33H,1-2H3
InChIKeyLSXOQQZPNXUGJJ-UHFFFAOYSA-N
MW699.90 g/mol
LogP14.11
Rot. Bonds3

About N-(9,9-dimethylfluoren-4-yl)-N-phenanthren-2-yl-9,9'-spirobi[fluorene]-1-amine

N-(9,9-dimethylfluoren-4-yl)-N-phenanthren-2-yl-9,9'-spirobi[fluorene]-1-amine (PubChem CID 135271123) has the molecular formula C54H37N and a molecular weight of 699.90 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-4-yl)-N-phenanthren-2-yl-9,9'-spirobi[fluorene]-1-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-4-yl)-N-phenanthren-2-yl-9,9'-spirobi[fluorene]-1-amine
PubChem CID135271123
Molecular FormulaC54H37N
Molecular Weight699.90 g/mol
Exact Mass699.29
IUPAC NameN-(9,9-dimethylfluoren-4-yl)-N-phenanthren-2-yl-9,9'-spirobi[fluorene]-1-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc4c(ccc5ccccc54)c3)c3cccc4c3C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cccc21
InChIInChI=1S/C54H37N/c1-53(2)44-22-9-8-20-43(44)51-48(53)26-14-27-49(51)55(36-31-32-38-35(33-36)30-29-34-15-3-4-16-37(34)38)50-28-13-21-42-41-19-7-12-25-47(41)54(52(42)50)45-23-10-5-17-39(45)40-18-6-11-24-46(40)54/h3-33H,1-2H3
InChIKeyLSXOQQZPNXUGJJ-UHFFFAOYSA-N
XLogP14.11
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500699.90
LogP ≤ 514.11
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-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]phenanthren-2-amine
CID 170142102
N-(9,9-dimethylfluoren-4-yl)-3'-phenanthren-2-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine
CID 138729359
N-chrysen-2-yl-N-(9,9-dimethylfluoren-4-yl)dibenzothiophen-3-amine
CID 170139933
N-(9,9-dimethylfluoren-4-yl)-11,11-dimethyl-N-naphthalen-2-ylbenzo[a]fluoren-6-amine
CID 164929456
N-(9,9-dimethylfluoren-2-yl)-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenanthren-2-amine
CID 170216868
N-(9,9-dimethylfluoren-4-yl)-N-phenanthren-2-ylphenanthren-2-amine;N,N-di(phenanthren-2-yl)phenanthren-2-amine;N-phenanthren-2-yl-N-phenanthren-4-ylphenanthren-2-amine;N-phenanthren-2-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]phenanthren-2-amine;N-phenanthren-2-yl-N-[4-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]phenanthren-2-amine;N-phenanthren-2-yl-N-[2-(4-phenylphenyl)phenyl]phenanthren-2-amine
CID 163773436
N-(9,9-dimethylfluoren-4-yl)-N-(9,9'-spirobi[fluorene]-3-yl)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'-amine
CID 135229808
4-N-phenanthren-2-yl-2-N',2-N',4-N-triphenyl-9,9'-spirobi[fluorene]-2',4-diamine
CID 140915518
N-(4-chrysen-6-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-4-amine
CID 170139291
2-N'-(9,9-dimethylfluoren-4-yl)-2-N',6-N,6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-2',6-diamine
CID 168774947
N-(9,9-dimethylfluoren-4-yl)-N-(3-naphthalen-2-ylphenyl)benzo[g]phenanthren-3-amine
CID 167183259
N-(9,9-diphenylfluoren-2-yl)-N-(9-methyl-9-phenylfluoren-4-yl)phenanthren-2-amine
CID 171453718

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-4-yl)-N-phenanthren-2-yl-9,9'-spirobi[fluorene]-1-amine?
The IUPAC name of N-(9,9-dimethylfluoren-4-yl)-N-phenanthren-2-yl-9,9'-spirobi[fluorene]-1-amine (CID 135271123) is N-(9,9-dimethylfluoren-4-yl)-N-phenanthren-2-yl-9,9'-spirobi[fluorene]-1-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-4-yl)-N-phenanthren-2-yl-9,9'-spirobi[fluorene]-1-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-4-yl)-N-phenanthren-2-yl-9,9'-spirobi[fluorene]-1-amine is CC1(C)c2ccccc2-c2c(N(c3ccc4c(ccc5ccccc54)c3)c3cccc4c3C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cccc21.
What is the InChIKey of N-(9,9-dimethylfluoren-4-yl)-N-phenanthren-2-yl-9,9'-spirobi[fluorene]-1-amine?
The InChIKey is LSXOQQZPNXUGJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H37N/c1-53(2)44-22-9-8-20-43(44)51-48(53)26-14-27-49(51)55(36-31-32-38-35(33-36)30-29-34-15-3-4-16-37(34)38)50-28-13-21-42-41-19-7-12-25-47(41)54(52(42)50)45-23-10-5-17-39(45)40-18-6-11-24-46(40)54/h3-33H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-4-yl)-N-phenanthren-2-yl-9,9'-spirobi[fluorene]-1-amine?
N-(9,9-dimethylfluoren-4-yl)-N-phenanthren-2-yl-9,9'-spirobi[fluorene]-1-amine has a molecular weight of 699.90 g/mol, XLogP of 14.11, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-4-yl)-N-phenanthren-2-yl-9,9'-spirobi[fluorene]-1-amine is sourced from PubChem (CID 135271123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).