5,9,9-trimethyl-N-(1-phenylnaphthalen-2-yl)-N-(4-phenylphenyl)fluoren-2-amine

C44H35N — CID 171740895

IUPAC5,9,9-trimethyl-N-(1-phenylnaphthalen-2-yl)-N-(4-phenylphenyl)fluoren-2-amine
SMILESCc1cccc2c1-c1ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4ccccc4c3-c3ccccc3)cc1C2(C)C
InChIInChI=1S/C44H35N/c1-30-13-12-20-39-42(30)38-27-26-36(29-40(38)44(39,2)3)45(35-24-21-32(22-25-35)31-14-6-4-7-15-31)41-28-23-33-16-10-11-19-37(33)43(41)34-17-8-5-9-18-34/h4-29H,1-3H3
InChIKeyISHHUACHGUTTGG-UHFFFAOYSA-N
MW577.77 g/mol
LogP12.26
Rot. Bonds5

About 5,9,9-trimethyl-N-(1-phenylnaphthalen-2-yl)-N-(4-phenylphenyl)fluoren-2-amine

5,9,9-trimethyl-N-(1-phenylnaphthalen-2-yl)-N-(4-phenylphenyl)fluoren-2-amine (PubChem CID 171740895) has the molecular formula C44H35N and a molecular weight of 577.77 g/mol. Its IUPAC name is 5,9,9-trimethyl-N-(1-phenylnaphthalen-2-yl)-N-(4-phenylphenyl)fluoren-2-amine.

Molecular Properties

Compound Name5,9,9-trimethyl-N-(1-phenylnaphthalen-2-yl)-N-(4-phenylphenyl)fluoren-2-amine
PubChem CID171740895
Molecular FormulaC44H35N
Molecular Weight577.77 g/mol
Exact Mass577.28
IUPAC Name5,9,9-trimethyl-N-(1-phenylnaphthalen-2-yl)-N-(4-phenylphenyl)fluoren-2-amine
SMILESCc1cccc2c1-c1ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4ccccc4c3-c3ccccc3)cc1C2(C)C
InChIInChI=1S/C44H35N/c1-30-13-12-20-39-42(30)38-27-26-36(29-40(38)44(39,2)3)45(35-24-21-32(22-25-35)31-14-6-4-7-15-31)41-28-23-33-16-10-11-19-37(33)43(41)34-17-8-5-9-18-34/h4-29H,1-3H3
InChIKeyISHHUACHGUTTGG-UHFFFAOYSA-N
XLogP12.26
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.77
LogP ≤ 512.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9,9-dimethyl-N-(1-phenylnaphthalen-2-yl)-N,5-bis(4-phenylphenyl)fluoren-2-amine
CID 170417648
1-N-(9,9-dimethylfluoren-2-yl)-4-N-phenyl-4-N-(1-phenylnaphthalen-2-yl)-1-N-(4-phenylphenyl)benzene-1,4-diamine
CID 176611732
9,9-dimethyl-N-(1-naphthalen-2-ylnaphthalen-2-yl)-5-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 170417611
9-tert-butyl-N-(1-phenylnaphthalen-2-yl)-N-(5,9,9-trimethylfluoren-2-yl)carbazol-2-amine
CID 176850918
9,9-dimethyl-N-naphthalen-2-yl-5-phenyl-N-(1-phenylnaphthalen-2-yl)fluoren-2-amine
CID 170417565
9,9-dimethyl-N-naphthalen-2-yl-N-[3-[4-[naphthalen-2-yl-(1-phenylnaphthalen-2-yl)amino]phenyl]phenyl]fluoren-2-amine
CID 176611821
3-N-(9,9-dimethylfluoren-2-yl)-5-[4-(2,6-diphenylphenyl)phenyl]-1-N,1-N-diphenyl-3-N-(1-phenylnaphthalen-2-yl)benzene-1,3-diamine
CID 177286747
9,9-dimethyl-N-[2-[4-[4-[naphthalen-2-yl-(1-phenylnaphthalen-2-yl)amino]phenyl]phenyl]phenyl]-N-phenylfluoren-2-amine
CID 176611810
9,9-dimethyl-N-[1-(4-phenylphenyl)naphthalen-2-yl]-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine
CID 170538821
7,7-dimethyl-N-[4-(4-methylphenyl)phenyl]-N-phenylbenzo[g]fluoren-9-amine
CID 143561123
5,9,9-trimethyl-N-phenyl-N-[3-(2-phenylphenyl)naphthalen-2-yl]fluoren-2-amine
CID 171741066
9,9-dimethyl-N-naphthalen-2-yl-5-phenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]fluoren-2-amine
CID 170417688

Frequently Asked Questions

What is the IUPAC name of 5,9,9-trimethyl-N-(1-phenylnaphthalen-2-yl)-N-(4-phenylphenyl)fluoren-2-amine?
The IUPAC name of 5,9,9-trimethyl-N-(1-phenylnaphthalen-2-yl)-N-(4-phenylphenyl)fluoren-2-amine (CID 171740895) is 5,9,9-trimethyl-N-(1-phenylnaphthalen-2-yl)-N-(4-phenylphenyl)fluoren-2-amine.
What is the SMILES notation for 5,9,9-trimethyl-N-(1-phenylnaphthalen-2-yl)-N-(4-phenylphenyl)fluoren-2-amine?
The canonical SMILES for 5,9,9-trimethyl-N-(1-phenylnaphthalen-2-yl)-N-(4-phenylphenyl)fluoren-2-amine is Cc1cccc2c1-c1ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4ccccc4c3-c3ccccc3)cc1C2(C)C.
What is the InChIKey of 5,9,9-trimethyl-N-(1-phenylnaphthalen-2-yl)-N-(4-phenylphenyl)fluoren-2-amine?
The InChIKey is ISHHUACHGUTTGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H35N/c1-30-13-12-20-39-42(30)38-27-26-36(29-40(38)44(39,2)3)45(35-24-21-32(22-25-35)31-14-6-4-7-15-31)41-28-23-33-16-10-11-19-37(33)43(41)34-17-8-5-9-18-34/h4-29H,1-3H3.
What are the key properties of 5,9,9-trimethyl-N-(1-phenylnaphthalen-2-yl)-N-(4-phenylphenyl)fluoren-2-amine?
5,9,9-trimethyl-N-(1-phenylnaphthalen-2-yl)-N-(4-phenylphenyl)fluoren-2-amine has a molecular weight of 577.77 g/mol, XLogP of 12.26, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,9,9-trimethyl-N-(1-phenylnaphthalen-2-yl)-N-(4-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 171740895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).