N-(7,7-dimethylbenzo[g]fluoren-9-yl)-N-(9,9-dimethylfluoren-2-yl)-2'-phenyl-9,9'-spirobi[fluorene]-4-amine

C65H47N — CID 129259070

IUPACN-(7,7-dimethylbenzo[g]fluoren-9-yl)-N-(9,9-dimethylfluoren-2-yl)-2'-phenyl-9,9'-spirobi[fluorene]-4-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccc5ccccc5c3-4)c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccc(-c5ccccc5)cc43)cc21
InChIInChI=1S/C65H47N/c1-63(2)52-24-13-10-21-46(52)48-34-31-43(38-57(48)63)66(44-32-35-51-58(39-44)64(3,4)55-36-30-41-19-8-9-20-45(41)61(51)55)60-28-16-27-56-62(60)50-23-12-15-26-54(50)65(56)53-25-14-11-22-47(53)49-33-29-42(37-59(49)65)40-17-6-5-7-18-40/h5-39H,1-4H3
InChIKeyDNRHDYYPETZXDG-UHFFFAOYSA-N
MW842.10 g/mol
LogP16.93
Rot. Bonds4

About N-(7,7-dimethylbenzo[g]fluoren-9-yl)-N-(9,9-dimethylfluoren-2-yl)-2'-phenyl-9,9'-spirobi[fluorene]-4-amine

N-(7,7-dimethylbenzo[g]fluoren-9-yl)-N-(9,9-dimethylfluoren-2-yl)-2'-phenyl-9,9'-spirobi[fluorene]-4-amine (PubChem CID 129259070) has the molecular formula C65H47N and a molecular weight of 842.10 g/mol. Its IUPAC name is N-(7,7-dimethylbenzo[g]fluoren-9-yl)-N-(9,9-dimethylfluoren-2-yl)-2'-phenyl-9,9'-spirobi[fluorene]-4-amine.

Molecular Properties

Compound NameN-(7,7-dimethylbenzo[g]fluoren-9-yl)-N-(9,9-dimethylfluoren-2-yl)-2'-phenyl-9,9'-spirobi[fluorene]-4-amine
PubChem CID129259070
Molecular FormulaC65H47N
Molecular Weight842.10 g/mol
Exact Mass841.37
IUPAC NameN-(7,7-dimethylbenzo[g]fluoren-9-yl)-N-(9,9-dimethylfluoren-2-yl)-2'-phenyl-9,9'-spirobi[fluorene]-4-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccc5ccccc5c3-4)c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccc(-c5ccccc5)cc43)cc21
InChIInChI=1S/C65H47N/c1-63(2)52-24-13-10-21-46(52)48-34-31-43(38-57(48)63)66(44-32-35-51-58(39-44)64(3,4)55-36-30-41-19-8-9-20-45(41)61(51)55)60-28-16-27-56-62(60)50-23-12-15-26-54(50)65(56)53-25-14-11-22-47(53)49-33-29-42(37-59(49)65)40-17-6-5-7-18-40/h5-39H,1-4H3
InChIKeyDNRHDYYPETZXDG-UHFFFAOYSA-N
XLogP16.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500842.10
LogP ≤ 516.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-(7,7-dimethylbenzo[g]fluoren-9-yl)-N-(9,9-dimethylfluoren-2-yl)-2'-phenyl-9,9'-spirobi[fluorene]-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-ylspiro[benzo[g]fluorene-7,9'-fluorene]-9-amine
CID 165158535
9,9-dimethyl-N-(3-phenylphenyl)-N-(4-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]-2'-ylphenyl)fluoren-4-amine
CID 135229754
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-fluorene]-9-amine;N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-fluorene]-9-amine;N-(3-phenylphenyl)-N-(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-fluorene]-9-amine
CID 159953736
N-(9,9-dimethylfluoren-2-yl)-N-[4-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 167177057
9,9-dimethyl-N-(2-phenylphenyl)-N-(4-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'-ylphenyl)fluoren-4-amine;9,9-dimethyl-N-(3-phenylphenyl)-N-(4-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]-2'-ylphenyl)fluoren-2-amine;9,9-dimethyl-N-(3-phenylphenyl)-N-(4-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'-ylphenyl)fluoren-4-amine
CID 160813482
N-(9,9-dimethylfluoren-2-yl)-N-[3-phenyl-4-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 129267147
N-(9,9-dimethylfluoren-2-yl)-N-phenylspiro[benzo[g]fluorene-7,9'-fluorene]-9-amine
CID 134193943
N-(9,9-dimethylfluoren-4-yl)-2'-(3-phenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 129258937
9,9-dimethyl-N-(4-phenylphenyl)-N-(4-spiro[benzo[c]fluorene-7,9'-fluorene]-1'-ylphenyl)fluoren-2-amine
CID 130380017
N-(9,9-dimethylfluoren-2-yl)-4'-(2,4-diphenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 129258891
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[benzo[c]fluorene-7,9'-xanthene]-11-amine
CID 164730939
N-(7,7-dimethylbenzo[c]fluoren-2-yl)-7,7-dimethyl-N-(4-phenylphenyl)benzo[g]fluoren-9-amine;N-(7,7-dimethylbenzo[c]fluoren-2-yl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine;N-(9,9-diphenylfluoren-2-yl)-7,7-dimethyl-N-(4-phenylphenyl)benzo[c]fluoren-2-amine
CID 159928886

Frequently Asked Questions

What is the IUPAC name of N-(7,7-dimethylbenzo[g]fluoren-9-yl)-N-(9,9-dimethylfluoren-2-yl)-2'-phenyl-9,9'-spirobi[fluorene]-4-amine?
The IUPAC name of N-(7,7-dimethylbenzo[g]fluoren-9-yl)-N-(9,9-dimethylfluoren-2-yl)-2'-phenyl-9,9'-spirobi[fluorene]-4-amine (CID 129259070) is N-(7,7-dimethylbenzo[g]fluoren-9-yl)-N-(9,9-dimethylfluoren-2-yl)-2'-phenyl-9,9'-spirobi[fluorene]-4-amine.
What is the SMILES notation for N-(7,7-dimethylbenzo[g]fluoren-9-yl)-N-(9,9-dimethylfluoren-2-yl)-2'-phenyl-9,9'-spirobi[fluorene]-4-amine?
The canonical SMILES for N-(7,7-dimethylbenzo[g]fluoren-9-yl)-N-(9,9-dimethylfluoren-2-yl)-2'-phenyl-9,9'-spirobi[fluorene]-4-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccc5ccccc5c3-4)c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccc(-c5ccccc5)cc43)cc21.
What is the InChIKey of N-(7,7-dimethylbenzo[g]fluoren-9-yl)-N-(9,9-dimethylfluoren-2-yl)-2'-phenyl-9,9'-spirobi[fluorene]-4-amine?
The InChIKey is DNRHDYYPETZXDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H47N/c1-63(2)52-24-13-10-21-46(52)48-34-31-43(38-57(48)63)66(44-32-35-51-58(39-44)64(3,4)55-36-30-41-19-8-9-20-45(41)61(51)55)60-28-16-27-56-62(60)50-23-12-15-26-54(50)65(56)53-25-14-11-22-47(53)49-33-29-42(37-59(49)65)40-17-6-5-7-18-40/h5-39H,1-4H3.
What are the key properties of N-(7,7-dimethylbenzo[g]fluoren-9-yl)-N-(9,9-dimethylfluoren-2-yl)-2'-phenyl-9,9'-spirobi[fluorene]-4-amine?
N-(7,7-dimethylbenzo[g]fluoren-9-yl)-N-(9,9-dimethylfluoren-2-yl)-2'-phenyl-9,9'-spirobi[fluorene]-4-amine has a molecular weight of 842.10 g/mol, XLogP of 16.93, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7,7-dimethylbenzo[g]fluoren-9-yl)-N-(9,9-dimethylfluoren-2-yl)-2'-phenyl-9,9'-spirobi[fluorene]-4-amine is sourced from PubChem (CID 129259070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).