4-N'-(9,9-dimethylfluoren-4-yl)-4-N',5-N,5-N-triphenylspiro[benzo[a]fluorene-11,9'-fluorene]-4',5-diamine

C62H44N2 — CID 168775025

IUPAC4-N'-(9,9-dimethylfluoren-4-yl)-4-N',5-N,5-N-triphenylspiro[benzo[a]fluorene-11,9'-fluorene]-4',5-diamine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccccc3)c3cccc4c3-c3ccccc3C43c4ccccc4-c4cc(N(c5ccccc5)c5ccccc5)c5ccccc5c43)cccc21
InChIInChI=1S/C62H44N2/c1-61(2)50-33-17-15-31-47(50)58-53(61)36-20-38-55(58)64(43-26-10-5-11-27-43)56-39-21-37-54-59(56)48-32-16-19-35-52(48)62(54)51-34-18-14-28-44(51)49-40-57(45-29-12-13-30-46(45)60(49)62)63(41-22-6-3-7-23-41)42-24-8-4-9-25-42/h3-40H,1-2H3
InChIKeySZFYDEHGRXDVIP-UHFFFAOYSA-N
MW817.05 g/mol
LogP16.43
Rot. Bonds6

About 4-N'-(9,9-dimethylfluoren-4-yl)-4-N',5-N,5-N-triphenylspiro[benzo[a]fluorene-11,9'-fluorene]-4',5-diamine

4-N'-(9,9-dimethylfluoren-4-yl)-4-N',5-N,5-N-triphenylspiro[benzo[a]fluorene-11,9'-fluorene]-4',5-diamine (PubChem CID 168775025) has the molecular formula C62H44N2 and a molecular weight of 817.05 g/mol. Its IUPAC name is 4-N'-(9,9-dimethylfluoren-4-yl)-4-N',5-N,5-N-triphenylspiro[benzo[a]fluorene-11,9'-fluorene]-4',5-diamine.

Molecular Properties

Compound Name4-N'-(9,9-dimethylfluoren-4-yl)-4-N',5-N,5-N-triphenylspiro[benzo[a]fluorene-11,9'-fluorene]-4',5-diamine
PubChem CID168775025
Molecular FormulaC62H44N2
Molecular Weight817.05 g/mol
Exact Mass816.35
IUPAC Name4-N'-(9,9-dimethylfluoren-4-yl)-4-N',5-N,5-N-triphenylspiro[benzo[a]fluorene-11,9'-fluorene]-4',5-diamine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccccc3)c3cccc4c3-c3ccccc3C43c4ccccc4-c4cc(N(c5ccccc5)c5ccccc5)c5ccccc5c43)cccc21
InChIInChI=1S/C62H44N2/c1-61(2)50-33-17-15-31-47(50)58-53(61)36-20-38-55(58)64(43-26-10-5-11-27-43)56-39-21-37-54-59(56)48-32-16-19-35-52(48)62(54)51-34-18-14-28-44(51)49-40-57(45-29-12-13-30-46(45)60(49)62)63(41-22-6-3-7-23-41)42-24-8-4-9-25-42/h3-40H,1-2H3
InChIKeySZFYDEHGRXDVIP-UHFFFAOYSA-N
XLogP16.43
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500817.05
LogP ≤ 516.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-N'-(9,9-dimethylfluoren-4-yl)-4-N',5-N,5-N-triphenylspiro[benzo[a]fluorene-11,9'-fluorene]-4',5-diamine 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

5-N-(9,9-dimethylfluoren-2-yl)-2-N',2-N',5-N-triphenylspiro[benzo[a]fluorene-11,9'-fluorene]-2',5-diamine
CID 168775186
4-N-(9,9-dimethylfluoren-2-yl)-1-N'-(9,9-dimethylfluoren-4-yl)-4-N-phenyl-1-N'-(4-phenylphenyl)-9,9'-spirobi[fluorene]-1',4-diamine
CID 135271139
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-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-[2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-4-amine
CID 167177633
4-N',4-N',10-N,10-N-tetraphenylspiro[benzo[b]fluorene-11,9'-fluorene]-4',10-diamine
CID 168775348
N-(9,9-dimethylfluoren-4-yl)-2'-(3-phenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 129258937
N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N,4'-diphenyl-9,9'-spirobi[fluorene]-4-amine
CID 129258928
1-N,1-N,3-N-triphenyl-3-N-[3-[N-(9,9'-spirobi[fluorene]-4-yl)anilino]phenyl]benzene-1,3-diamine
CID 146601554
7,7-dimethyl-N,N-diphenylbenzo[c]fluoren-5-amine
CID 162712377
N-phenyl-N-triphenylen-1-yl-9,9'-spirobi[fluorene]-4-amine
CID 134568070
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

Frequently Asked Questions

What is the IUPAC name of 4-N'-(9,9-dimethylfluoren-4-yl)-4-N',5-N,5-N-triphenylspiro[benzo[a]fluorene-11,9'-fluorene]-4',5-diamine?
The IUPAC name of 4-N'-(9,9-dimethylfluoren-4-yl)-4-N',5-N,5-N-triphenylspiro[benzo[a]fluorene-11,9'-fluorene]-4',5-diamine (CID 168775025) is 4-N'-(9,9-dimethylfluoren-4-yl)-4-N',5-N,5-N-triphenylspiro[benzo[a]fluorene-11,9'-fluorene]-4',5-diamine.
What is the SMILES notation for 4-N'-(9,9-dimethylfluoren-4-yl)-4-N',5-N,5-N-triphenylspiro[benzo[a]fluorene-11,9'-fluorene]-4',5-diamine?
The canonical SMILES for 4-N'-(9,9-dimethylfluoren-4-yl)-4-N',5-N,5-N-triphenylspiro[benzo[a]fluorene-11,9'-fluorene]-4',5-diamine is CC1(C)c2ccccc2-c2c(N(c3ccccc3)c3cccc4c3-c3ccccc3C43c4ccccc4-c4cc(N(c5ccccc5)c5ccccc5)c5ccccc5c43)cccc21.
What is the InChIKey of 4-N'-(9,9-dimethylfluoren-4-yl)-4-N',5-N,5-N-triphenylspiro[benzo[a]fluorene-11,9'-fluorene]-4',5-diamine?
The InChIKey is SZFYDEHGRXDVIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H44N2/c1-61(2)50-33-17-15-31-47(50)58-53(61)36-20-38-55(58)64(43-26-10-5-11-27-43)56-39-21-37-54-59(56)48-32-16-19-35-52(48)62(54)51-34-18-14-28-44(51)49-40-57(45-29-12-13-30-46(45)60(49)62)63(41-22-6-3-7-23-41)42-24-8-4-9-25-42/h3-40H,1-2H3.
What are the key properties of 4-N'-(9,9-dimethylfluoren-4-yl)-4-N',5-N,5-N-triphenylspiro[benzo[a]fluorene-11,9'-fluorene]-4',5-diamine?
4-N'-(9,9-dimethylfluoren-4-yl)-4-N',5-N,5-N-triphenylspiro[benzo[a]fluorene-11,9'-fluorene]-4',5-diamine has a molecular weight of 817.05 g/mol, XLogP of 16.43, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N'-(9,9-dimethylfluoren-4-yl)-4-N',5-N,5-N-triphenylspiro[benzo[a]fluorene-11,9'-fluorene]-4',5-diamine is sourced from PubChem (CID 168775025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).