N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(4-phenylphenyl)fluoranthen-1-amine

C49H35N — CID 139498825

IUPACN-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(4-phenylphenyl)fluoranthen-1-amine
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc5cccc6c5c4-c4ccccc4-6)cc3)cc21
InChIInChI=1S/C49H35N/c1-49(2)44-18-9-8-15-40(44)41-29-23-36(31-45(41)49)34-21-27-38(28-22-34)50(37-25-19-33(20-26-37)32-11-4-3-5-12-32)46-30-24-35-13-10-17-42-39-14-6-7-16-43(39)48(46)47(35)42/h3-31H,1-2H3
InChIKeyQAGMIRCYWDQWOF-UHFFFAOYSA-N
MW637.83 g/mol
LogP13.60
Rot. Bonds5

About N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(4-phenylphenyl)fluoranthen-1-amine

N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(4-phenylphenyl)fluoranthen-1-amine (PubChem CID 139498825) has the molecular formula C49H35N and a molecular weight of 637.83 g/mol. Its IUPAC name is N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(4-phenylphenyl)fluoranthen-1-amine.

Molecular Properties

Compound NameN-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(4-phenylphenyl)fluoranthen-1-amine
PubChem CID139498825
Molecular FormulaC49H35N
Molecular Weight637.83 g/mol
Exact Mass637.28
IUPAC NameN-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(4-phenylphenyl)fluoranthen-1-amine
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc5cccc6c5c4-c4ccccc4-6)cc3)cc21
InChIInChI=1S/C49H35N/c1-49(2)44-18-9-8-15-40(44)41-29-23-36(31-45(41)49)34-21-27-38(28-22-34)50(37-25-19-33(20-26-37)32-11-4-3-5-12-32)46-30-24-35-13-10-17-42-39-14-6-7-16-43(39)48(46)47(35)42/h3-31H,1-2H3
InChIKeyQAGMIRCYWDQWOF-UHFFFAOYSA-N
XLogP13.60
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500637.83
LogP ≤ 513.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,N-bis(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-9-phenylbenzo[a]phenalen-1-amine
CID 167232083
7,7-dimethyl-9-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]benzo[a]phenalen-1-amine
CID 167232078
N-(9,9-dimethyl-2,7-diphenylfluoren-4-yl)-N-(9,9-dimethylfluoren-2-yl)fluoranthen-1-amine
CID 139499012
7,7-dimethyl-9-naphthalen-2-yl-N,N-bis(4-phenylphenyl)benzo[a]phenalen-1-amine
CID 167232547
N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-8-phenyl-N-[4-(4-phenylphenyl)phenyl]benzo[a]phenalen-1-amine
CID 167232102
N-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]fluoranthen-1-amine
CID 139499086
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-3-phenyl-2-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 168788736
7,7-dimethyl-N,10-diphenyl-N-(4-phenylphenyl)benzo[a]phenalen-1-amine
CID 167232212
N-(7,7-dimethyl-9-phenylbenzo[a]phenalen-1-yl)-N-(4-phenylphenyl)triphenylen-2-amine
CID 167232118
N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-(4-naphthalen-1-ylphenyl)-10-phenylbenzo[a]phenalen-1-amine
CID 167232240
N-(9,9-diphenylfluoren-2-yl)-7,7-dimethyl-N-(4-phenylphenyl)benzo[a]phenalen-1-amine
CID 167232339
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]naphthalen-1-amine
CID 168790736

Frequently Asked Questions

What is the IUPAC name of N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(4-phenylphenyl)fluoranthen-1-amine?
The IUPAC name of N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(4-phenylphenyl)fluoranthen-1-amine (CID 139498825) is N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(4-phenylphenyl)fluoranthen-1-amine.
What is the SMILES notation for N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(4-phenylphenyl)fluoranthen-1-amine?
The canonical SMILES for N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(4-phenylphenyl)fluoranthen-1-amine is CC1(C)c2ccccc2-c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc5cccc6c5c4-c4ccccc4-6)cc3)cc21.
What is the InChIKey of N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(4-phenylphenyl)fluoranthen-1-amine?
The InChIKey is QAGMIRCYWDQWOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H35N/c1-49(2)44-18-9-8-15-40(44)41-29-23-36(31-45(41)49)34-21-27-38(28-22-34)50(37-25-19-33(20-26-37)32-11-4-3-5-12-32)46-30-24-35-13-10-17-42-39-14-6-7-16-43(39)48(46)47(35)42/h3-31H,1-2H3.
What are the key properties of N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(4-phenylphenyl)fluoranthen-1-amine?
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(4-phenylphenyl)fluoranthen-1-amine has a molecular weight of 637.83 g/mol, XLogP of 13.60, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(4-phenylphenyl)fluoranthen-1-amine is sourced from PubChem (CID 139498825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).