6-N-(9,9-diphenylfluoren-3-yl)-4-N',4-N',6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-4',6-diamine

C72H48N2 — CID 168775466

IUPAC6-N-(9,9-diphenylfluoren-3-yl)-4-N',4-N',6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-4',6-diamine
SMILESc1ccc(N(c2ccccc2)c2cccc3c2-c2ccccc2C32c3ccccc3-c3c2c(N(c2ccccc2)c2ccc4c(c2)-c2ccccc2C4(c2ccccc2)c2ccccc2)cc2ccccc32)cc1
InChIInChI=1S/C72H48N2/c1-6-26-50(27-7-1)71(51-28-8-2-9-29-51)61-40-21-18-37-57(61)60-48-55(45-46-64(60)71)74(54-34-14-5-15-35-54)67-47-49-25-16-17-36-56(49)68-58-38-19-22-41-62(58)72(70(67)68)63-42-23-20-39-59(63)69-65(72)43-24-44-66(69)73(52-30-10-3-11-31-52)53-32-12-4-13-33-53/h1-48H
InChIKeyOARXRPVBFUEAOO-UHFFFAOYSA-N
MW941.19 g/mol
LogP18.49
Rot. Bonds8

About 6-N-(9,9-diphenylfluoren-3-yl)-4-N',4-N',6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-4',6-diamine

6-N-(9,9-diphenylfluoren-3-yl)-4-N',4-N',6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-4',6-diamine (PubChem CID 168775466) has the molecular formula C72H48N2 and a molecular weight of 941.19 g/mol. Its IUPAC name is 6-N-(9,9-diphenylfluoren-3-yl)-4-N',4-N',6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-4',6-diamine.

Molecular Properties

Compound Name6-N-(9,9-diphenylfluoren-3-yl)-4-N',4-N',6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-4',6-diamine
PubChem CID168775466
Molecular FormulaC72H48N2
Molecular Weight941.19 g/mol
Exact Mass940.38
IUPAC Name6-N-(9,9-diphenylfluoren-3-yl)-4-N',4-N',6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-4',6-diamine
SMILESc1ccc(N(c2ccccc2)c2cccc3c2-c2ccccc2C32c3ccccc3-c3c2c(N(c2ccccc2)c2ccc4c(c2)-c2ccccc2C4(c2ccccc2)c2ccccc2)cc2ccccc32)cc1
InChIInChI=1S/C72H48N2/c1-6-26-50(27-7-1)71(51-28-8-2-9-29-51)61-40-21-18-37-57(61)60-48-55(45-46-64(60)71)74(54-34-14-5-15-35-54)67-47-49-25-16-17-36-56(49)68-58-38-19-22-41-62(58)72(70(67)68)63-42-23-20-39-59(63)69-65(72)43-24-44-66(69)73(52-30-10-3-11-31-52)53-32-12-4-13-33-53/h1-48H
InChIKeyOARXRPVBFUEAOO-UHFFFAOYSA-N
XLogP18.49
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500941.19
LogP ≤ 518.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-N-(9,9-diphenylfluoren-3-yl)-4-N',4-N',6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-4',6-diamine with MolForge

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Related Compounds

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
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
3-N'-naphthalen-2-yl-3-N',6-N,6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-3',6-diamine
CID 168775472
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
N-(9,9-diphenylfluoren-3-yl)-N-(9,9-diphenylfluoren-4-yl)-9,9-diphenylfluoren-3-amine
CID 121423447
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-(9,9-diphenylfluoren-3-yl)-N-(4-phenanthren-3-ylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 121423713
4-N'-dibenzofuran-2-yl-4-N',6-N,6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-4',6-diamine
CID 168775351
N-(9,9-diphenylfluoren-4-yl)-N-(9-methyl-9-phenylfluoren-3-yl)phenanthren-9-amine
CID 171453100
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]-4'-ylspiro[benzo[c]fluorene-7,9'-fluorene]-3',6-diamine
CID 168775247
N-naphthalen-2-yl-9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-4-amine
CID 121464393

Frequently Asked Questions

What is the IUPAC name of 6-N-(9,9-diphenylfluoren-3-yl)-4-N',4-N',6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-4',6-diamine?
The IUPAC name of 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) is 6-N-(9,9-diphenylfluoren-3-yl)-4-N',4-N',6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-4',6-diamine.
What is the SMILES notation for 6-N-(9,9-diphenylfluoren-3-yl)-4-N',4-N',6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-4',6-diamine?
The canonical SMILES for 6-N-(9,9-diphenylfluoren-3-yl)-4-N',4-N',6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-4',6-diamine is c1ccc(N(c2ccccc2)c2cccc3c2-c2ccccc2C32c3ccccc3-c3c2c(N(c2ccccc2)c2ccc4c(c2)-c2ccccc2C4(c2ccccc2)c2ccccc2)cc2ccccc32)cc1.
What is the InChIKey of 6-N-(9,9-diphenylfluoren-3-yl)-4-N',4-N',6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-4',6-diamine?
The InChIKey is OARXRPVBFUEAOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H48N2/c1-6-26-50(27-7-1)71(51-28-8-2-9-29-51)61-40-21-18-37-57(61)60-48-55(45-46-64(60)71)74(54-34-14-5-15-35-54)67-47-49-25-16-17-36-56(49)68-58-38-19-22-41-62(58)72(70(67)68)63-42-23-20-39-59(63)69-65(72)43-24-44-66(69)73(52-30-10-3-11-31-52)53-32-12-4-13-33-53/h1-48H.
What are the key properties of 6-N-(9,9-diphenylfluoren-3-yl)-4-N',4-N',6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-4',6-diamine?
6-N-(9,9-diphenylfluoren-3-yl)-4-N',4-N',6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-4',6-diamine has a molecular weight of 941.19 g/mol, XLogP of 18.49, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(9,9-diphenylfluoren-3-yl)-4-N',4-N',6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-4',6-diamine is sourced from PubChem (CID 168775466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).