N-(9,9-dimethylfluoren-4-yl)-2',7'-dimethyl-N-phenyl-9,9'-spirobi[fluorene]-3-amine

C48H37N — CID 126538707

IUPACN-(9,9-dimethylfluoren-4-yl)-2',7'-dimethyl-N-phenyl-9,9'-spirobi[fluorene]-3-amine
SMILESCc1ccc2c(c1)C1(c3ccccc3-c3cc(N(c4ccccc4)c4cccc5c4-c4ccccc4C5(C)C)ccc31)c1cc(C)ccc1-2
InChIInChI=1S/C48H37N/c1-30-21-24-35-36-25-22-31(2)28-44(36)48(43(35)27-30)40-18-11-8-15-34(40)38-29-33(23-26-41(38)48)49(32-13-6-5-7-14-32)45-20-12-19-42-46(45)37-16-9-10-17-39(37)47(42,3)4/h5-29H,1-4H3
InChIKeyUZESFRBLOBRGDZ-UHFFFAOYSA-N
MW627.83 g/mol
LogP12.42
Rot. Bonds3

About N-(9,9-dimethylfluoren-4-yl)-2',7'-dimethyl-N-phenyl-9,9'-spirobi[fluorene]-3-amine

N-(9,9-dimethylfluoren-4-yl)-2',7'-dimethyl-N-phenyl-9,9'-spirobi[fluorene]-3-amine (PubChem CID 126538707) has the molecular formula C48H37N and a molecular weight of 627.83 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-4-yl)-2',7'-dimethyl-N-phenyl-9,9'-spirobi[fluorene]-3-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-4-yl)-2',7'-dimethyl-N-phenyl-9,9'-spirobi[fluorene]-3-amine
PubChem CID126538707
Molecular FormulaC48H37N
Molecular Weight627.83 g/mol
Exact Mass627.29
IUPAC NameN-(9,9-dimethylfluoren-4-yl)-2',7'-dimethyl-N-phenyl-9,9'-spirobi[fluorene]-3-amine
SMILESCc1ccc2c(c1)C1(c3ccccc3-c3cc(N(c4ccccc4)c4cccc5c4-c4ccccc4C5(C)C)ccc31)c1cc(C)ccc1-2
InChIInChI=1S/C48H37N/c1-30-21-24-35-36-25-22-31(2)28-44(36)48(43(35)27-30)40-18-11-8-15-34(40)38-29-33(23-26-41(38)48)49(32-13-6-5-7-14-32)45-20-12-19-42-46(45)37-16-9-10-17-39(37)47(42,3)4/h5-29H,1-4H3
InChIKeyUZESFRBLOBRGDZ-UHFFFAOYSA-N
XLogP12.42
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.83
LogP ≤ 512.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-N,5-N-bis(9,9-dimethylfluoren-2-yl)-2-N,5-N-diphenyl-9,9'-spirobi[fluorene]-2,5-diamine
CID 137448787
2',7'-ditert-butyl-N-(9,9-dimethylfluoren-4-yl)-N-(3-methylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 156556780
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-3-yl)-9,9'-spirobi[fluorene]-4-amine
CID 121423710
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-4-yl)-9,9'-spirobi[fluorene]-3-amine
CID 121423487
N-(9,9-dimethylfluoren-3-yl)-N-phenylspiro[fluorene-9,9'-hexacyclo[11.8.0.02,10.03,8.04,20.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene]-4-amine
CID 164845692
CID 118153721
CID 118153721
N-(9,9-dimethylfluoren-3-yl)-N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-3-amine;N-(9,9-dimethylfluoren-4-yl)-N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-3-amine;N-(9,9-diphenylfluoren-3-yl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-3-amine;N-(9,9-diphenylfluoren-3-yl)-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethylfluoren-3-amine
CID 158283164
2',7'-difluoro-N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-4'-amine;2',7'-dimethyl-N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine;N-(9,9-dimethylfluoren-2-yl)-2',7'-difluoro-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 158098032
N-(9,9-dimethylfluoren-4-yl)-N-(4-pentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2(7),3,5,9,11,13,15,17,19,22,24-dodecaenyl)-9,9'-spirobi[fluorene]-2-amine
CID 146370165
N-(9,9-dimethylfluoren-4-yl)-2'-(3-phenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 129258937
N-(9,9-dimethylfluoren-2-yl)-N-[3-phenyl-4-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 129267147
7'-methyl-2'-methyl-N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 123227044

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-4-yl)-2',7'-dimethyl-N-phenyl-9,9'-spirobi[fluorene]-3-amine?
The IUPAC name of N-(9,9-dimethylfluoren-4-yl)-2',7'-dimethyl-N-phenyl-9,9'-spirobi[fluorene]-3-amine (CID 126538707) is N-(9,9-dimethylfluoren-4-yl)-2',7'-dimethyl-N-phenyl-9,9'-spirobi[fluorene]-3-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-4-yl)-2',7'-dimethyl-N-phenyl-9,9'-spirobi[fluorene]-3-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-4-yl)-2',7'-dimethyl-N-phenyl-9,9'-spirobi[fluorene]-3-amine is Cc1ccc2c(c1)C1(c3ccccc3-c3cc(N(c4ccccc4)c4cccc5c4-c4ccccc4C5(C)C)ccc31)c1cc(C)ccc1-2.
What is the InChIKey of N-(9,9-dimethylfluoren-4-yl)-2',7'-dimethyl-N-phenyl-9,9'-spirobi[fluorene]-3-amine?
The InChIKey is UZESFRBLOBRGDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H37N/c1-30-21-24-35-36-25-22-31(2)28-44(36)48(43(35)27-30)40-18-11-8-15-34(40)38-29-33(23-26-41(38)48)49(32-13-6-5-7-14-32)45-20-12-19-42-46(45)37-16-9-10-17-39(37)47(42,3)4/h5-29H,1-4H3.
What are the key properties of N-(9,9-dimethylfluoren-4-yl)-2',7'-dimethyl-N-phenyl-9,9'-spirobi[fluorene]-3-amine?
N-(9,9-dimethylfluoren-4-yl)-2',7'-dimethyl-N-phenyl-9,9'-spirobi[fluorene]-3-amine has a molecular weight of 627.83 g/mol, XLogP of 12.42, 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)-2',7'-dimethyl-N-phenyl-9,9'-spirobi[fluorene]-3-amine is sourced from PubChem (CID 126538707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).