N-(9-methyl-9-phenylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine

C57H39N — CID 167177069

IUPACN-(9-methyl-9-phenylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
SMILESCC1(c2ccccc2)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)cc21
InChIInChI=1S/C57H39N/c1-56(40-19-6-3-7-20-40)48-25-12-8-21-43(48)46-36-35-42(37-53(46)56)58(41-33-31-39(32-34-41)38-17-4-2-5-18-38)54-30-16-29-52-55(54)47-24-11-15-28-51(47)57(52)49-26-13-9-22-44(49)45-23-10-14-27-50(45)57/h2-37H,1H3
InChIKeyNICQPSZXWCCSGN-UHFFFAOYSA-N
MW737.95 g/mol
LogP14.50
Rot. Bonds5

About N-(9-methyl-9-phenylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine

N-(9-methyl-9-phenylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine (PubChem CID 167177069) has the molecular formula C57H39N and a molecular weight of 737.95 g/mol. Its IUPAC name is N-(9-methyl-9-phenylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine.

Molecular Properties

Compound NameN-(9-methyl-9-phenylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
PubChem CID167177069
Molecular FormulaC57H39N
Molecular Weight737.95 g/mol
Exact Mass737.31
IUPAC NameN-(9-methyl-9-phenylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
SMILESCC1(c2ccccc2)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)cc21
InChIInChI=1S/C57H39N/c1-56(40-19-6-3-7-20-40)48-25-12-8-21-43(48)46-36-35-42(37-53(46)56)58(41-33-31-39(32-34-41)38-17-4-2-5-18-38)54-30-16-29-52-55(54)47-24-11-15-28-51(47)57(52)49-26-13-9-22-44(49)45-23-10-14-27-50(45)57/h2-37H,1H3
InChIKeyNICQPSZXWCCSGN-UHFFFAOYSA-N
XLogP14.50
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500737.95
LogP ≤ 514.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,N-bis(9-methyl-9-phenylfluoren-2-yl)-9,9'-spirobi[fluorene]-4-amine
CID 171453575
N-(9,9-diphenylfluoren-4-yl)-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-9-methyl-9-phenylfluoren-2-amine
CID 171453500
9-methyl-N-(9-methyl-9-phenylfluoren-4-yl)-9-phenyl-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 171453043
N-(9-methyl-9-phenylfluoren-2-yl)-N-(9-methyl-9-phenylfluoren-3-yl)-9,9'-spirobi[fluorene]-4-amine
CID 171453030
N-(9,9-dimethylfluoren-4-yl)-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-9-methyl-9-phenylfluoren-2-amine
CID 171453735
N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-9-methyl-9-phenyl-N-(2-phenylphenyl)fluoren-2-amine
CID 171453157
N-(9,9-diphenylfluoren-2-yl)-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethylfluoren-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-(9,9-diphenylfluoren-4-yl)-9,9-diphenylfluoren-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-(9,9-diphenylfluoren-4-yl)-9-methyl-9-phenylfluoren-2-amine
CID 160677650
N-(9,9-diphenylfluoren-4-yl)-9,9-dimethyl-N-[4-(9-methylfluoren-9-yl)phenyl]fluoren-2-amine
CID 135193179
N-(9,9-dimethylfluoren-2-yl)-N-[4-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 167177057
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9-methyl-9-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 170135534
N-(9,9-dimethylfluoren-2-yl)-N-[3-phenyl-4-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 129267147
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethylfluoren-2-amine
CID 135193177

Frequently Asked Questions

What is the IUPAC name of N-(9-methyl-9-phenylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine?
The IUPAC name of N-(9-methyl-9-phenylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine (CID 167177069) is N-(9-methyl-9-phenylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine.
What is the SMILES notation for N-(9-methyl-9-phenylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine?
The canonical SMILES for N-(9-methyl-9-phenylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine is CC1(c2ccccc2)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)cc21.
What is the InChIKey of N-(9-methyl-9-phenylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine?
The InChIKey is NICQPSZXWCCSGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H39N/c1-56(40-19-6-3-7-20-40)48-25-12-8-21-43(48)46-36-35-42(37-53(46)56)58(41-33-31-39(32-34-41)38-17-4-2-5-18-38)54-30-16-29-52-55(54)47-24-11-15-28-51(47)57(52)49-26-13-9-22-44(49)45-23-10-14-27-50(45)57/h2-37H,1H3.
What are the key properties of N-(9-methyl-9-phenylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine?
N-(9-methyl-9-phenylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine has a molecular weight of 737.95 g/mol, XLogP of 14.50, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9-methyl-9-phenylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine is sourced from PubChem (CID 167177069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).