9,9-dimethyl-N-[2-(9,9'-spirobi[fluorene]-3-yl)phenyl]fluoren-2-amine

C46H33N — CID 146293909

IUPAC9,9-dimethyl-N-[2-(9,9'-spirobi[fluorene]-3-yl)phenyl]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(Nc3ccccc3-c3ccc4c(c3)-c3ccccc3C43c4ccccc4-c4ccccc43)cc21
InChIInChI=1S/C46H33N/c1-45(2)38-18-8-3-14-32(38)36-25-24-30(28-43(36)45)47-44-22-12-7-13-31(44)29-23-26-42-37(27-29)35-17-6-11-21-41(35)46(42)39-19-9-4-15-33(39)34-16-5-10-20-40(34)46/h3-28,47H,1-2H3
InChIKeyMPLMHELCACUEDY-UHFFFAOYSA-N
MW599.78 g/mol
LogP11.75
Rot. Bonds3

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

9,9-dimethyl-N-[2-(9,9'-spirobi[fluorene]-3-yl)phenyl]fluoren-2-amine (PubChem CID 146293909) has the molecular formula C46H33N and a molecular weight of 599.78 g/mol. Its IUPAC name is 9,9-dimethyl-N-[2-(9,9'-spirobi[fluorene]-3-yl)phenyl]fluoren-2-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-[2-(9,9'-spirobi[fluorene]-3-yl)phenyl]fluoren-2-amine
PubChem CID146293909
Molecular FormulaC46H33N
Molecular Weight599.78 g/mol
Exact Mass599.26
IUPAC Name9,9-dimethyl-N-[2-(9,9'-spirobi[fluorene]-3-yl)phenyl]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(Nc3ccccc3-c3ccc4c(c3)-c3ccccc3C43c4ccccc4-c4ccccc43)cc21
InChIInChI=1S/C46H33N/c1-45(2)38-18-8-3-14-32(38)36-25-24-30(28-43(36)45)47-44-22-12-7-13-31(44)29-23-26-42-37(27-29)35-17-6-11-21-41(35)46(42)39-19-9-4-15-33(39)34-16-5-10-20-40(34)46/h3-28,47H,1-2H3
InChIKeyMPLMHELCACUEDY-UHFFFAOYSA-N
XLogP11.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500599.78
LogP ≤ 511.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-4-amine
CID 90294631
N-(9,9-dimethylfluoren-2-yl)-9,9,10,10-tetramethylanthracen-2-amine
CID 166647046
N-[4-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]phenyl]-2-phenylaniline
CID 168764863
9,9-dimethyl-N-[2-(6-methyl-3-pyridinyl)phenyl]fluoren-2-amine
CID 156556730
N-[3-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-9,9-dimethylfluoren-3-amine
CID 164774415
4-[4-[2-(9,9-dimethylfluoren-2-yl)anilino]phenyl]-2-phenylaniline
CID 118682439
N-[2-(4-cyclopentylphenyl)phenyl]-9,9-dimethylfluoren-2-amine
CID 177124729
9,9-dimethyl-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 134528915
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 160556555
N-[2-[4-(1-adamantyl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine
CID 156556685
9,9-dimethyl-N-(2-methylphenyl)fluoren-3-amine
CID 156636262
2-N,7-N-bis(2-anilinophenyl)-9,9-dimethylfluorene-2,7-diamine
CID 71080481

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-[2-(9,9'-spirobi[fluorene]-3-yl)phenyl]fluoren-2-amine?
The IUPAC name of 9,9-dimethyl-N-[2-(9,9'-spirobi[fluorene]-3-yl)phenyl]fluoren-2-amine (CID 146293909) is 9,9-dimethyl-N-[2-(9,9'-spirobi[fluorene]-3-yl)phenyl]fluoren-2-amine.
What is the SMILES notation for 9,9-dimethyl-N-[2-(9,9'-spirobi[fluorene]-3-yl)phenyl]fluoren-2-amine?
The canonical SMILES for 9,9-dimethyl-N-[2-(9,9'-spirobi[fluorene]-3-yl)phenyl]fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(Nc3ccccc3-c3ccc4c(c3)-c3ccccc3C43c4ccccc4-c4ccccc43)cc21.
What is the InChIKey of 9,9-dimethyl-N-[2-(9,9'-spirobi[fluorene]-3-yl)phenyl]fluoren-2-amine?
The InChIKey is MPLMHELCACUEDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H33N/c1-45(2)38-18-8-3-14-32(38)36-25-24-30(28-43(36)45)47-44-22-12-7-13-31(44)29-23-26-42-37(27-29)35-17-6-11-21-41(35)46(42)39-19-9-4-15-33(39)34-16-5-10-20-40(34)46/h3-28,47H,1-2H3.
What are the key properties of 9,9-dimethyl-N-[2-(9,9'-spirobi[fluorene]-3-yl)phenyl]fluoren-2-amine?
9,9-dimethyl-N-[2-(9,9'-spirobi[fluorene]-3-yl)phenyl]fluoren-2-amine has a molecular weight of 599.78 g/mol, XLogP of 11.75, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-N-[2-(9,9'-spirobi[fluorene]-3-yl)phenyl]fluoren-2-amine is sourced from PubChem (CID 146293909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).