N,N-bis(4-methylphenyl)-9,9'-spirobi[fluorene]-1-amine

C39H29N — CID 154409809

IUPACN,N-bis(4-methylphenyl)-9,9'-spirobi[fluorene]-1-amine
SMILESCc1ccc(N(c2ccc(C)cc2)c2cccc3c2C2(c4ccccc4-c4ccccc42)c2ccccc2-3)cc1
InChIInChI=1S/C39H29N/c1-26-18-22-28(23-19-26)40(29-24-20-27(2)21-25-29)37-17-9-13-33-32-12-5-8-16-36(32)39(38(33)37)34-14-6-3-10-30(34)31-11-4-7-15-35(31)39/h3-25H,1-2H3
InChIKeyOFQWDKVLSAGUQH-UHFFFAOYSA-N
MW511.67 g/mol
LogP10.12
Rot. Bonds3

About N,N-bis(4-methylphenyl)-9,9'-spirobi[fluorene]-1-amine

N,N-bis(4-methylphenyl)-9,9'-spirobi[fluorene]-1-amine (PubChem CID 154409809) has the molecular formula C39H29N and a molecular weight of 511.67 g/mol. Its IUPAC name is N,N-bis(4-methylphenyl)-9,9'-spirobi[fluorene]-1-amine.

Molecular Properties

Compound NameN,N-bis(4-methylphenyl)-9,9'-spirobi[fluorene]-1-amine
PubChem CID154409809
Molecular FormulaC39H29N
Molecular Weight511.67 g/mol
Exact Mass511.23
IUPAC NameN,N-bis(4-methylphenyl)-9,9'-spirobi[fluorene]-1-amine
SMILESCc1ccc(N(c2ccc(C)cc2)c2cccc3c2C2(c4ccccc4-c4ccccc42)c2ccccc2-3)cc1
InChIInChI=1S/C39H29N/c1-26-18-22-28(23-19-26)40(29-24-20-27(2)21-25-29)37-17-9-13-33-32-12-5-8-16-36(32)39(38(33)37)34-14-6-3-10-30(34)31-11-4-7-15-35(31)39/h3-25H,1-2H3
InChIKeyOFQWDKVLSAGUQH-UHFFFAOYSA-N
XLogP10.12
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.67
LogP ≤ 510.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2',7'-dimethyl-N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine
CID 146541622
9,9-diphenyl-N,N-bis(4-phenylphenyl)fluoren-1-amine
CID 90277808
N-(4-methylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 121285757
CID 118153721
CID 118153721
N-[4-[4-[4-[4-[(9,9-dimethylfluoren-2-yl)-(9,9'-spirobi[fluorene]-1-yl)amino]phenyl]phenyl]phenyl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine
CID 155005492
9-methyl-9-(4-methylphenyl)-N,N-bis(4-phenylphenyl)fluoren-1-amine
CID 90277826
N-[4-(4-phenylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-1-amine
CID 130308420
N-(9,9-dimethylfluoren-2-yl)-N-[4-(3,5-diphenylphenyl)phenyl]-9,9'-spirobi[fluorene]-1-amine
CID 168750038
CID 134451141
CID 134451141
N-[4-(4-tert-butylphenyl)phenyl]-9-(4-methylphenyl)-N-[9-(4-methylphenyl)-9-(4-phenylphenyl)fluoren-2-yl]-9-phenylfluoren-1-amine
CID 177066968
N-fluoranthen-8-yl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine
CID 139498985
N-[4-(3,5-diphenylphenyl)phenyl]-9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-1-amine
CID 121381614

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-methylphenyl)-9,9'-spirobi[fluorene]-1-amine?
The IUPAC name of N,N-bis(4-methylphenyl)-9,9'-spirobi[fluorene]-1-amine (CID 154409809) is N,N-bis(4-methylphenyl)-9,9'-spirobi[fluorene]-1-amine.
What is the SMILES notation for N,N-bis(4-methylphenyl)-9,9'-spirobi[fluorene]-1-amine?
The canonical SMILES for N,N-bis(4-methylphenyl)-9,9'-spirobi[fluorene]-1-amine is Cc1ccc(N(c2ccc(C)cc2)c2cccc3c2C2(c4ccccc4-c4ccccc42)c2ccccc2-3)cc1.
What is the InChIKey of N,N-bis(4-methylphenyl)-9,9'-spirobi[fluorene]-1-amine?
The InChIKey is OFQWDKVLSAGUQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H29N/c1-26-18-22-28(23-19-26)40(29-24-20-27(2)21-25-29)37-17-9-13-33-32-12-5-8-16-36(32)39(38(33)37)34-14-6-3-10-30(34)31-11-4-7-15-35(31)39/h3-25H,1-2H3.
What are the key properties of N,N-bis(4-methylphenyl)-9,9'-spirobi[fluorene]-1-amine?
N,N-bis(4-methylphenyl)-9,9'-spirobi[fluorene]-1-amine has a molecular weight of 511.67 g/mol, XLogP of 10.12, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-methylphenyl)-9,9'-spirobi[fluorene]-1-amine is sourced from PubChem (CID 154409809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).