6-phenyl-N,N-bis(4-phenylphenyl)spiro[benzo[a]fluorene-11,9'-fluorene]-5-amine

C59H39N — CID 169280630

IUPAC6-phenyl-N,N-bis(4-phenylphenyl)spiro[benzo[a]fluorene-11,9'-fluorene]-5-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3c(-c4ccccc4)c4c(c5ccccc35)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc2)cc1
InChIInChI=1S/C59H39N/c1-4-18-40(19-5-1)42-32-36-45(37-33-42)60(46-38-34-43(35-39-46)41-20-6-2-7-21-41)58-50-27-11-10-26-49(50)57-56(55(58)44-22-8-3-9-23-44)51-28-14-17-31-54(51)59(57)52-29-15-12-24-47(52)48-25-13-16-30-53(48)59/h1-39H
InChIKeyXJLQXBDHDGCLEJ-UHFFFAOYSA-N
MW761.97 g/mol
LogP15.65
Rot. Bonds6

About 6-phenyl-N,N-bis(4-phenylphenyl)spiro[benzo[a]fluorene-11,9'-fluorene]-5-amine

6-phenyl-N,N-bis(4-phenylphenyl)spiro[benzo[a]fluorene-11,9'-fluorene]-5-amine (PubChem CID 169280630) has the molecular formula C59H39N and a molecular weight of 761.97 g/mol. Its IUPAC name is 6-phenyl-N,N-bis(4-phenylphenyl)spiro[benzo[a]fluorene-11,9'-fluorene]-5-amine.

Molecular Properties

Compound Name6-phenyl-N,N-bis(4-phenylphenyl)spiro[benzo[a]fluorene-11,9'-fluorene]-5-amine
PubChem CID169280630
Molecular FormulaC59H39N
Molecular Weight761.97 g/mol
Exact Mass761.31
IUPAC Name6-phenyl-N,N-bis(4-phenylphenyl)spiro[benzo[a]fluorene-11,9'-fluorene]-5-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3c(-c4ccccc4)c4c(c5ccccc35)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc2)cc1
InChIInChI=1S/C59H39N/c1-4-18-40(19-5-1)42-32-36-45(37-33-42)60(46-38-34-43(35-39-46)41-20-6-2-7-21-41)58-50-27-11-10-26-49(50)57-56(55(58)44-22-8-3-9-23-44)51-28-14-17-31-54(51)59(57)52-29-15-12-24-47(52)48-25-13-16-30-53(48)59/h1-39H
InChIKeyXJLQXBDHDGCLEJ-UHFFFAOYSA-N
XLogP15.65
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500761.97
LogP ≤ 515.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-phenyl-N-(6,11,11-triphenylbenzo[a]fluoren-5-yl)-9,9'-spirobi[fluorene]-2-amine
CID 169280693
11,11-dimethyl-6-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)benzo[a]fluoren-5-amine
CID 169280476
N-(10-phenylphenanthren-9-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 155303553
11,11-dimethyl-6-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)benzo[a]fluoren-5-amine
CID 169280252
11,11-dimethyl-N-naphthalen-2-yl-6-phenyl-N-(4-phenylphenyl)benzo[a]fluoren-5-amine
CID 169280399
N-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-N,6-diphenylbenzo[a]fluoren-5-amine
CID 169280376
N-(9,9-diphenylfluoren-3-yl)-10-phenyl-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenanthren-9-amine
CID 155304340
N-[4-(9-phenylfluoren-9-yl)phenyl]-10-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]phenanthren-9-amine
CID 155305163
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(6,11,11-triphenylbenzo[a]fluoren-5-yl)phenyl]fluoren-2-amine
CID 169280346
N,4-diphenyl-N-[4-[4-(9,9'-spirobi[fluorene]-1'-yl)phenyl]phenyl]aniline
CID 130380030
N-[4-(11,11-dimethyl-5-phenylbenzo[a]fluoren-6-yl)phenyl]-N,4-diphenylaniline
CID 169280371
N-(9,9-dimethylfluoren-2-yl)-10-(4-phenylphenyl)-N-[4-[4-(3-phenylphenyl)phenyl]phenyl]phenanthren-9-amine
CID 155304244

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-N,N-bis(4-phenylphenyl)spiro[benzo[a]fluorene-11,9'-fluorene]-5-amine?
The IUPAC name of 6-phenyl-N,N-bis(4-phenylphenyl)spiro[benzo[a]fluorene-11,9'-fluorene]-5-amine (CID 169280630) is 6-phenyl-N,N-bis(4-phenylphenyl)spiro[benzo[a]fluorene-11,9'-fluorene]-5-amine.
What is the SMILES notation for 6-phenyl-N,N-bis(4-phenylphenyl)spiro[benzo[a]fluorene-11,9'-fluorene]-5-amine?
The canonical SMILES for 6-phenyl-N,N-bis(4-phenylphenyl)spiro[benzo[a]fluorene-11,9'-fluorene]-5-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3c(-c4ccccc4)c4c(c5ccccc35)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc2)cc1.
What is the InChIKey of 6-phenyl-N,N-bis(4-phenylphenyl)spiro[benzo[a]fluorene-11,9'-fluorene]-5-amine?
The InChIKey is XJLQXBDHDGCLEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H39N/c1-4-18-40(19-5-1)42-32-36-45(37-33-42)60(46-38-34-43(35-39-46)41-20-6-2-7-21-41)58-50-27-11-10-26-49(50)57-56(55(58)44-22-8-3-9-23-44)51-28-14-17-31-54(51)59(57)52-29-15-12-24-47(52)48-25-13-16-30-53(48)59/h1-39H.
What are the key properties of 6-phenyl-N,N-bis(4-phenylphenyl)spiro[benzo[a]fluorene-11,9'-fluorene]-5-amine?
6-phenyl-N,N-bis(4-phenylphenyl)spiro[benzo[a]fluorene-11,9'-fluorene]-5-amine has a molecular weight of 761.97 g/mol, XLogP of 15.65, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-N,N-bis(4-phenylphenyl)spiro[benzo[a]fluorene-11,9'-fluorene]-5-amine is sourced from PubChem (CID 169280630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).