3-N'-(9,9-dimethylfluoren-3-yl)-3-N',6-N,6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-3',6-diamine

C62H44N2 — CID 168775124

IUPAC3-N'-(9,9-dimethylfluoren-3-yl)-3-N',6-N,6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-3',6-diamine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccccc3)c3ccc4c(c3)-c3ccccc3C43c4ccccc4-c4c3c(N(c3ccccc3)c3ccccc3)cc3ccccc43)ccc21
InChIInChI=1S/C62H44N2/c1-61(2)53-31-17-14-28-48(53)51-39-45(34-36-54(51)61)63(42-21-6-3-7-22-42)46-35-37-57-52(40-46)49-29-15-18-32-55(49)62(57)56-33-19-16-30-50(56)59-47-27-13-12-20-41(47)38-58(60(59)62)64(43-23-8-4-9-24-43)44-25-10-5-11-26-44/h3-40H,1-2H3
InChIKeySQPZXFIQHFCIDE-UHFFFAOYSA-N
MW817.05 g/mol
LogP16.43
Rot. Bonds6

About 3-N'-(9,9-dimethylfluoren-3-yl)-3-N',6-N,6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-3',6-diamine

3-N'-(9,9-dimethylfluoren-3-yl)-3-N',6-N,6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-3',6-diamine (PubChem CID 168775124) has the molecular formula C62H44N2 and a molecular weight of 817.05 g/mol. Its IUPAC name is 3-N'-(9,9-dimethylfluoren-3-yl)-3-N',6-N,6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-3',6-diamine.

Molecular Properties

Compound Name3-N'-(9,9-dimethylfluoren-3-yl)-3-N',6-N,6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-3',6-diamine
PubChem CID168775124
Molecular FormulaC62H44N2
Molecular Weight817.05 g/mol
Exact Mass816.35
IUPAC Name3-N'-(9,9-dimethylfluoren-3-yl)-3-N',6-N,6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-3',6-diamine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccccc3)c3ccc4c(c3)-c3ccccc3C43c4ccccc4-c4c3c(N(c3ccccc3)c3ccccc3)cc3ccccc43)ccc21
InChIInChI=1S/C62H44N2/c1-61(2)53-31-17-14-28-48(53)51-39-45(34-36-54(51)61)63(42-21-6-3-7-22-42)46-35-37-57-52(40-46)49-29-15-18-32-55(49)62(57)56-33-19-16-30-50(56)59-47-27-13-12-20-41(47)38-58(60(59)62)64(43-23-8-4-9-24-43)44-25-10-5-11-26-44/h3-40H,1-2H3
InChIKeySQPZXFIQHFCIDE-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 3-N'-(9,9-dimethylfluoren-3-yl)-3-N',6-N,6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-3',6-diamine with MolForge

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Related Compounds

3-N'-naphthalen-2-yl-3-N',6-N,6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-3',6-diamine
CID 168775472
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
6-N-(9,9-diphenylfluoren-3-yl)-4-N',4-N',6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-4',6-diamine
CID 168775466
3-N'-dibenzothiophen-3-yl-3-N',6-N,6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-3',6-diamine
CID 168775392
3-N',6-N,6-N-triphenyl-3-N'-spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-3'-ylspiro[benzo[c]fluorene-7,9'-fluorene]-3',6-diamine
CID 168775478
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
3-N-[3-(N-(7,7-dimethylbenzo[c]fluoren-6-yl)anilino)phenyl]-1-N-(9,9-dimethylfluoren-4-yl)-3-N-naphthalen-2-yl-1-N-phenylbenzene-1,3-diamine
CID 146602123
2'-bromo-N,N-diphenylspiro[benzo[c]fluorene-7,9'-fluorene]-6-amine
CID 168775411
4-N',4-N',6-N-triphenyl-6-N-(9,9'-spirobi[fluorene]-1-yl)spiro[benzo[c]fluorene-7,9'-fluorene]-4',6-diamine
CID 168775249
9,9-dimethyl-N,N-diphenylfluoren-3-amine
CID 126704960
6-N-(9,9-diphenylfluoren-4-yl)-2-N',2-N',6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-2',6-diamine
CID 168775309
N-(9,9-dimethylfluoren-2-yl)-N-phenylspiro[benzo[g]fluorene-7,9'-fluorene]-9-amine
CID 134193943

Frequently Asked Questions

What is the IUPAC name of 3-N'-(9,9-dimethylfluoren-3-yl)-3-N',6-N,6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-3',6-diamine?
The IUPAC name of 3-N'-(9,9-dimethylfluoren-3-yl)-3-N',6-N,6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-3',6-diamine (CID 168775124) is 3-N'-(9,9-dimethylfluoren-3-yl)-3-N',6-N,6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-3',6-diamine.
What is the SMILES notation for 3-N'-(9,9-dimethylfluoren-3-yl)-3-N',6-N,6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-3',6-diamine?
The canonical SMILES for 3-N'-(9,9-dimethylfluoren-3-yl)-3-N',6-N,6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-3',6-diamine is CC1(C)c2ccccc2-c2cc(N(c3ccccc3)c3ccc4c(c3)-c3ccccc3C43c4ccccc4-c4c3c(N(c3ccccc3)c3ccccc3)cc3ccccc43)ccc21.
What is the InChIKey of 3-N'-(9,9-dimethylfluoren-3-yl)-3-N',6-N,6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-3',6-diamine?
The InChIKey is SQPZXFIQHFCIDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H44N2/c1-61(2)53-31-17-14-28-48(53)51-39-45(34-36-54(51)61)63(42-21-6-3-7-22-42)46-35-37-57-52(40-46)49-29-15-18-32-55(49)62(57)56-33-19-16-30-50(56)59-47-27-13-12-20-41(47)38-58(60(59)62)64(43-23-8-4-9-24-43)44-25-10-5-11-26-44/h3-40H,1-2H3.
What are the key properties of 3-N'-(9,9-dimethylfluoren-3-yl)-3-N',6-N,6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-3',6-diamine?
3-N'-(9,9-dimethylfluoren-3-yl)-3-N',6-N,6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-3',6-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 3-N'-(9,9-dimethylfluoren-3-yl)-3-N',6-N,6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-3',6-diamine is sourced from PubChem (CID 168775124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).