N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenanthren-9-yl-N-phenylfluoren-2-amine

C50H39N — CID 118500286

IUPACN-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenanthren-9-yl-N-phenylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4c(c3)C(C)(C)c3cc(-c5cc6ccccc6c6ccccc56)ccc3-4)cc21
InChIInChI=1S/C50H39N/c1-49(2)45-21-13-12-20-40(45)42-26-23-35(30-47(42)49)51(34-15-6-5-7-16-34)36-24-27-43-41-25-22-33(29-46(41)50(3,4)48(43)31-36)44-28-32-14-8-9-17-37(32)38-18-10-11-19-39(38)44/h5-31H,1-4H3
InChIKeyDOATWAANARKSJA-UHFFFAOYSA-N
MW653.87 g/mol
LogP13.74
Rot. Bonds4

About N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenanthren-9-yl-N-phenylfluoren-2-amine

N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenanthren-9-yl-N-phenylfluoren-2-amine (PubChem CID 118500286) has the molecular formula C50H39N and a molecular weight of 653.87 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenanthren-9-yl-N-phenylfluoren-2-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenanthren-9-yl-N-phenylfluoren-2-amine
PubChem CID118500286
Molecular FormulaC50H39N
Molecular Weight653.87 g/mol
Exact Mass653.31
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenanthren-9-yl-N-phenylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4c(c3)C(C)(C)c3cc(-c5cc6ccccc6c6ccccc56)ccc3-4)cc21
InChIInChI=1S/C50H39N/c1-49(2)45-21-13-12-20-40(45)42-26-23-35(30-47(42)49)51(34-15-6-5-7-16-34)36-24-27-43-41-25-22-33(29-46(41)50(3,4)48(43)31-36)44-28-32-14-8-9-17-37(32)38-18-10-11-19-39(38)44/h5-31H,1-4H3
InChIKeyDOATWAANARKSJA-UHFFFAOYSA-N
XLogP13.74
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500653.87
LogP ≤ 513.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-7-(4-phenanthren-9-ylphenyl)-N-phenylfluoren-2-amine
CID 118500370
10-(9,9-dimethylfluoren-2-yl)-N-phenyl-N-(4-phenylphenyl)phenanthren-2-amine
CID 177079830
9,9-dimethyl-N-(4-phenanthren-9-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 155303624
9,9-dimethyl-N-(4-phenanthren-9-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 163612523
9,9-dimethyl-N-(4-phenanthren-9-ylphenyl)-N-[4-(4-phenanthren-9-ylphenyl)phenyl]fluoren-2-amine
CID 166956448
N,N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-(4-phenanthren-9-ylphenyl)fluoren-2-amine
CID 58050488
N-(9,9-dimethylfluoren-2-yl)-7-phenanthren-9-yl-N-(4-phenylphenyl)triphenylen-2-amine
CID 134464892
N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-7-naphthalen-2-ylfluoren-2-amine;N,N-bis(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)-9,9-dimethyl-7-phenanthren-9-ylfluoren-2-amine
CID 159222456
N-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)-N-(9,9-dimethyl-7-phenylfluoren-2-yl)-9,9-dimethyl-7-phenylfluoren-2-amine
CID 58050464
9,9-dimethyl-7-phenanthren-9-yl-N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 58050458
9,9-dimethyl-7-(4-phenanthren-9-ylphenyl)-N,N-bis(4-phenylphenyl)fluoren-2-amine
CID 58050385
9,9-dimethyl-N-[4-(2-phenanthren-9-ylphenyl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 166566462

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenanthren-9-yl-N-phenylfluoren-2-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenanthren-9-yl-N-phenylfluoren-2-amine (CID 118500286) is N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenanthren-9-yl-N-phenylfluoren-2-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenanthren-9-yl-N-phenylfluoren-2-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenanthren-9-yl-N-phenylfluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4c(c3)C(C)(C)c3cc(-c5cc6ccccc6c6ccccc56)ccc3-4)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenanthren-9-yl-N-phenylfluoren-2-amine?
The InChIKey is DOATWAANARKSJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H39N/c1-49(2)45-21-13-12-20-40(45)42-26-23-35(30-47(42)49)51(34-15-6-5-7-16-34)36-24-27-43-41-25-22-33(29-46(41)50(3,4)48(43)31-36)44-28-32-14-8-9-17-37(32)38-18-10-11-19-39(38)44/h5-31H,1-4H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenanthren-9-yl-N-phenylfluoren-2-amine?
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenanthren-9-yl-N-phenylfluoren-2-amine has a molecular weight of 653.87 g/mol, XLogP of 13.74, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenanthren-9-yl-N-phenylfluoren-2-amine is sourced from PubChem (CID 118500286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).