1-(9,9-dimethylfluoren-2-yl)-2-(4-phenylphenyl)phenanthren-4-amine

C41H31N — CID 155125120

IUPAC1-(9,9-dimethylfluoren-2-yl)-2-(4-phenylphenyl)phenanthren-4-amine
SMILESCC1(C)c2ccccc2-c2ccc(-c3c(-c4ccc(-c5ccccc5)cc4)cc(N)c4c3ccc3ccccc34)cc21
InChIInChI=1S/C41H31N/c1-41(2)36-15-9-8-14-32(36)33-22-21-30(24-37(33)41)39-34-23-20-28-12-6-7-13-31(28)40(34)38(42)25-35(39)29-18-16-27(17-19-29)26-10-4-3-5-11-26/h3-25H,42H2,1-2H3
InChIKeyTWIRWTXQCNSVBT-UHFFFAOYSA-N
MW537.71 g/mol
LogP10.88
Rot. Bonds3

About 1-(9,9-dimethylfluoren-2-yl)-2-(4-phenylphenyl)phenanthren-4-amine

1-(9,9-dimethylfluoren-2-yl)-2-(4-phenylphenyl)phenanthren-4-amine (PubChem CID 155125120) has the molecular formula C41H31N and a molecular weight of 537.71 g/mol. Its IUPAC name is 1-(9,9-dimethylfluoren-2-yl)-2-(4-phenylphenyl)phenanthren-4-amine.

Molecular Properties

Compound Name1-(9,9-dimethylfluoren-2-yl)-2-(4-phenylphenyl)phenanthren-4-amine
PubChem CID155125120
Molecular FormulaC41H31N
Molecular Weight537.71 g/mol
Exact Mass537.25
IUPAC Name1-(9,9-dimethylfluoren-2-yl)-2-(4-phenylphenyl)phenanthren-4-amine
SMILESCC1(C)c2ccccc2-c2ccc(-c3c(-c4ccc(-c5ccccc5)cc4)cc(N)c4c3ccc3ccccc34)cc21
InChIInChI=1S/C41H31N/c1-41(2)36-15-9-8-14-32(36)33-22-21-30(24-37(33)41)39-34-23-20-28-12-6-7-13-31(28)40(34)38(42)25-35(39)29-18-16-27(17-19-29)26-10-4-3-5-11-26/h3-25H,42H2,1-2H3
InChIKeyTWIRWTXQCNSVBT-UHFFFAOYSA-N
XLogP10.88
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.71
LogP ≤ 510.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-[4-(9,9-dimethylfluoren-2-yl)phenyl]benzo[c]phenanthrene
CID 140710800
7-(9,9-dimethylfluoren-2-yl)-12-phenanthren-2-ylbenzo[a]anthracene
CID 58535895
9,10-bis(9,9-dimethylfluoren-2-yl)-2-(10-phenylanthracen-9-yl)anthracene;9,10-dinaphthalen-2-yl-2-(10-naphthalen-1-ylanthracen-9-yl)anthracene;9,10-dinaphthalen-2-yl-2-(10-phenylanthracen-9-yl)anthracene;12-naphthalen-2-yl-7-(4-naphthalen-2-ylphenyl)benzo[a]anthracene
CID 159327894
9,10-bis(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-ylanthracene;2-(9,9-dimethylfluoren-2-yl)-6,9,10-triphenylanthracene;9-(4-naphthalen-1-ylphenyl)-2,6,10-triphenylanthracene
CID 161463113
2-[4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]-9,10-diphenylanthracene;2-(9,9-dimethylfluoren-2-yl)-9,10-dinaphthalen-2-ylanthracene;2-(9,9-dimethylfluoren-2-yl)-9,10-diphenylanthracene;9,10-dinaphthalen-2-yl-2-(4-naphthalen-1-ylphenyl)anthracene;9,10-diphenyl-2-[10-(4-phenylphenyl)anthracen-9-yl]anthracene;2-(10-naphthalen-2-ylanthracen-9-yl)-9,10-diphenylanthracene
CID 159374462
9,10-bis(4-phenylphenyl)-2-[10-(4-phenylphenyl)anthracen-9-yl]anthracene;2-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,10-bis(4-phenylphenyl)anthracene;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-9,10-bis(4-phenylphenyl)anthracene
CID 159520005
10-(9,9-dimethylfluoren-2-yl)-2,9-dinaphthalen-2-ylanthracene;2,10-diphenyl-9-(4-phenylphenyl)anthracene;2,9,10-tris(9,9-dimethylfluoren-2-yl)anthracene
CID 162071769
8,8,13,13-tetramethyl-5,16-bis(2-phenylnaphthalen-1-yl)hexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene
CID 59181663
3-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9-phenylphenanthrene
CID 140942127
9-(9,9-dimethylfluoren-2-yl)-10-[7-[10-(9,9-dimethylfluoren-2-yl)-4-phenylanthracen-9-yl]-9,9-dimethylfluoren-2-yl]-1-phenylanthracene
CID 20822392
16-(9,9-dimethyl-7-phenylfluoren-2-yl)-10,10-dimethylpentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene
CID 123570677
7-(9,9-dimethylfluoren-2-yl)-12-phenanthren-3-ylbenzo[a]anthracene;7-phenanthren-2-yl-12-phenanthren-3-ylbenzo[a]anthracene;12-phenanthren-3-yl-7-phenanthren-9-ylbenzo[a]anthracene
CID 158903518

Frequently Asked Questions

What is the IUPAC name of 1-(9,9-dimethylfluoren-2-yl)-2-(4-phenylphenyl)phenanthren-4-amine?
The IUPAC name of 1-(9,9-dimethylfluoren-2-yl)-2-(4-phenylphenyl)phenanthren-4-amine (CID 155125120) is 1-(9,9-dimethylfluoren-2-yl)-2-(4-phenylphenyl)phenanthren-4-amine.
What is the SMILES notation for 1-(9,9-dimethylfluoren-2-yl)-2-(4-phenylphenyl)phenanthren-4-amine?
The canonical SMILES for 1-(9,9-dimethylfluoren-2-yl)-2-(4-phenylphenyl)phenanthren-4-amine is CC1(C)c2ccccc2-c2ccc(-c3c(-c4ccc(-c5ccccc5)cc4)cc(N)c4c3ccc3ccccc34)cc21.
What is the InChIKey of 1-(9,9-dimethylfluoren-2-yl)-2-(4-phenylphenyl)phenanthren-4-amine?
The InChIKey is TWIRWTXQCNSVBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H31N/c1-41(2)36-15-9-8-14-32(36)33-22-21-30(24-37(33)41)39-34-23-20-28-12-6-7-13-31(28)40(34)38(42)25-35(39)29-18-16-27(17-19-29)26-10-4-3-5-11-26/h3-25H,42H2,1-2H3.
What are the key properties of 1-(9,9-dimethylfluoren-2-yl)-2-(4-phenylphenyl)phenanthren-4-amine?
1-(9,9-dimethylfluoren-2-yl)-2-(4-phenylphenyl)phenanthren-4-amine has a molecular weight of 537.71 g/mol, XLogP of 10.88, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9,9-dimethylfluoren-2-yl)-2-(4-phenylphenyl)phenanthren-4-amine is sourced from PubChem (CID 155125120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).