N-naphthalen-1-yl-N,9,9,10,10-pentakis-phenylphenanthren-3-amine

C54H39N — CID 163943701

IUPACN-naphthalen-1-yl-N,9,9,10,10-pentakis-phenylphenanthren-3-amine
SMILESc1ccc(N(c2ccc3c(c2)-c2ccccc2C(c2ccccc2)(c2ccccc2)C3(c2ccccc2)c2ccccc2)c2cccc3ccccc23)cc1
InChIInChI=1S/C54H39N/c1-6-23-41(24-7-1)53(42-25-8-2-9-26-42)50-35-19-18-34-48(50)49-39-46(37-38-51(49)54(53,43-27-10-3-11-28-43)44-29-12-4-13-30-44)55(45-31-14-5-15-32-45)52-36-20-22-40-21-16-17-33-47(40)52/h1-39H
InChIKeyHXRPHZVZRJMGJV-UHFFFAOYSA-N
MW701.91 g/mol
LogP13.66
Rot. Bonds7

About N-naphthalen-1-yl-N,9,9,10,10-pentakis-phenylphenanthren-3-amine

N-naphthalen-1-yl-N,9,9,10,10-pentakis-phenylphenanthren-3-amine (PubChem CID 163943701) has the molecular formula C54H39N and a molecular weight of 701.91 g/mol. Its IUPAC name is N-naphthalen-1-yl-N,9,9,10,10-pentakis-phenylphenanthren-3-amine.

Molecular Properties

Compound NameN-naphthalen-1-yl-N,9,9,10,10-pentakis-phenylphenanthren-3-amine
PubChem CID163943701
Molecular FormulaC54H39N
Molecular Weight701.91 g/mol
Exact Mass701.31
IUPAC NameN-naphthalen-1-yl-N,9,9,10,10-pentakis-phenylphenanthren-3-amine
SMILESc1ccc(N(c2ccc3c(c2)-c2ccccc2C(c2ccccc2)(c2ccccc2)C3(c2ccccc2)c2ccccc2)c2cccc3ccccc23)cc1
InChIInChI=1S/C54H39N/c1-6-23-41(24-7-1)53(42-25-8-2-9-26-42)50-35-19-18-34-48(50)49-39-46(37-38-51(49)54(53,43-27-10-3-11-28-43)44-29-12-4-13-30-44)55(45-31-14-5-15-32-45)52-36-20-22-40-21-16-17-33-47(40)52/h1-39H
InChIKeyHXRPHZVZRJMGJV-UHFFFAOYSA-N
XLogP13.66
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500701.91
LogP ≤ 513.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-naphthalen-1-yl-N,9,9,10,10-pentakis-phenylphenanthren-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-phenyl-N-(9,9,10,10-tetraphenylphenanthren-3-yl)dibenzofuran-1-amine
CID 163943702
N,N-dinaphthalen-1-yl-9,9-diphenylspiro[anthracene-10,9'-fluorene]-3'-amine
CID 146247516
11-N',17-N'-dinaphthalen-1-yl-11-N',17-N'-diphenylspiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene]-11',17'-diamine
CID 130262417
9,9-dimethyl-N-[3-[[3-(N-naphthalen-1-ylanilino)phenyl]-diphenylsilyl]phenyl]-N-phenylfluoren-3-amine
CID 168725930
N-(9,9-diphenylfluoren-3-yl)-9,9-dimethyl-N-naphthalen-1-ylfluoren-3-amine;N-(9,9-diphenylfluoren-3-yl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-3-amine;N-(9,9-diphenylfluoren-3-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine;N-(9,9-diphenylfluoren-3-yl)-9,9-dimethyl-N-[2-(4-phenylphenyl)phenyl]fluoren-3-amine
CID 159359844
9-methyl-N-(9-methyl-9-phenylfluoren-4-yl)-N-naphthalen-1-yl-9-phenylfluoren-3-amine
CID 171453734
6,6,12,12-tetramethyl-2-N,2-N,8-N,8-N-tetrakis[4-(N-naphthalen-1-ylanilino)phenyl]indeno[1,2-b]fluorene-2,8-diamine
CID 59801002
N-(9-methyl-9-phenylfluoren-3-yl)-N-naphthalen-1-yl-9,10-diphenylphenanthren-2-amine
CID 169063703
6-N-(9,9-diphenylfluoren-3-yl)-4-N',4-N',6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-4',6-diamine
CID 168775466
N-(4-benzo[c]phenanthren-5-ylphenyl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-3-amine
CID 167182689
N,N-bis(4-phenylphenyl)-3-(14-phenyl-14-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaenyl)aniline;N-(4-naphthalen-1-ylphenyl)-N-[3-(14-phenyl-14-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaenyl)phenyl]naphthalen-1-amine
CID 157395516
2'-carbazol-9-yl-N-naphthalen-1-yl-N-phenyl-9,9'-spirobi[fluorene]-3-amine
CID 121423967

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-N,9,9,10,10-pentakis-phenylphenanthren-3-amine?
The IUPAC name of N-naphthalen-1-yl-N,9,9,10,10-pentakis-phenylphenanthren-3-amine (CID 163943701) is N-naphthalen-1-yl-N,9,9,10,10-pentakis-phenylphenanthren-3-amine.
What is the SMILES notation for N-naphthalen-1-yl-N,9,9,10,10-pentakis-phenylphenanthren-3-amine?
The canonical SMILES for N-naphthalen-1-yl-N,9,9,10,10-pentakis-phenylphenanthren-3-amine is c1ccc(N(c2ccc3c(c2)-c2ccccc2C(c2ccccc2)(c2ccccc2)C3(c2ccccc2)c2ccccc2)c2cccc3ccccc23)cc1.
What is the InChIKey of N-naphthalen-1-yl-N,9,9,10,10-pentakis-phenylphenanthren-3-amine?
The InChIKey is HXRPHZVZRJMGJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H39N/c1-6-23-41(24-7-1)53(42-25-8-2-9-26-42)50-35-19-18-34-48(50)49-39-46(37-38-51(49)54(53,43-27-10-3-11-28-43)44-29-12-4-13-30-44)55(45-31-14-5-15-32-45)52-36-20-22-40-21-16-17-33-47(40)52/h1-39H.
What are the key properties of N-naphthalen-1-yl-N,9,9,10,10-pentakis-phenylphenanthren-3-amine?
N-naphthalen-1-yl-N,9,9,10,10-pentakis-phenylphenanthren-3-amine has a molecular weight of 701.91 g/mol, XLogP of 13.66, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-N,9,9,10,10-pentakis-phenylphenanthren-3-amine is sourced from PubChem (CID 163943701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).