N-[4-[9-(4-fluorophenyl)-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaen-5-yl]phenyl]-N-phenylnaphthalen-1-amine

C50H31FN2 — CID 58050159

IUPACN-[4-[9-(4-fluorophenyl)-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaen-5-yl]phenyl]-N-phenylnaphthalen-1-amine
SMILESFc1ccc(-n2c3ccc(-c4ccc(N(c5ccccc5)c5cccc6ccccc56)cc4)cc3c3c4ccc5cccc6ccc(cc32)c4c65)cc1
InChIInChI=1S/C50H31FN2/c51-38-22-26-41(27-23-38)53-46-29-21-36(30-44(46)50-43-28-20-35-11-6-10-34-16-17-37(31-47(50)53)49(43)48(34)35)32-18-24-40(25-19-32)52(39-12-2-1-3-13-39)45-15-7-9-33-8-4-5-14-42(33)45/h1-31H
InChIKeyQZASTJDLSDZFGN-UHFFFAOYSA-N
MW678.81 g/mol
LogP14.11
Rot. Bonds5

About N-[4-[9-(4-fluorophenyl)-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaen-5-yl]phenyl]-N-phenylnaphthalen-1-amine

N-[4-[9-(4-fluorophenyl)-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaen-5-yl]phenyl]-N-phenylnaphthalen-1-amine (PubChem CID 58050159) has the molecular formula C50H31FN2 and a molecular weight of 678.81 g/mol. Its IUPAC name is N-[4-[9-(4-fluorophenyl)-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaen-5-yl]phenyl]-N-phenylnaphthalen-1-amine.

Molecular Properties

Compound NameN-[4-[9-(4-fluorophenyl)-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaen-5-yl]phenyl]-N-phenylnaphthalen-1-amine
PubChem CID58050159
Molecular FormulaC50H31FN2
Molecular Weight678.81 g/mol
Exact Mass678.25
IUPAC NameN-[4-[9-(4-fluorophenyl)-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaen-5-yl]phenyl]-N-phenylnaphthalen-1-amine
SMILESFc1ccc(-n2c3ccc(-c4ccc(N(c5ccccc5)c5cccc6ccccc56)cc4)cc3c3c4ccc5cccc6ccc(cc32)c4c65)cc1
InChIInChI=1S/C50H31FN2/c51-38-22-26-41(27-23-38)53-46-29-21-36(30-44(46)50-43-28-20-35-11-6-10-34-16-17-37(31-47(50)53)49(43)48(34)35)32-18-24-40(25-19-32)52(39-12-2-1-3-13-39)45-15-7-9-33-8-4-5-14-42(33)45/h1-31H
InChIKeyQZASTJDLSDZFGN-UHFFFAOYSA-N
XLogP14.11
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500678.81
LogP ≤ 514.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[4-[9-(4-fluorophenyl)-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaen-5-yl]phenyl]-N-phenylnaphthalen-1-amine with MolForge

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Related Compounds

N-[4-(9-naphthalen-1-yl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaen-5-yl)phenyl]-N-phenylnaphthalen-1-amine
CID 58050142
5-(9-phenyl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaen-5-yl)-N,N-bis(4-phenylphenyl)naphthalen-1-amine
CID 58050114
7-[9-(4-fluorophenyl)-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaen-5-yl]-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine
CID 58050163
N-phenyl-N-[4-(9-phenyl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaen-16-yl)phenyl]naphthalen-1-amine
CID 87411915
N-[4-[4-[3,6-bis(4-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 118402405
N-phenyl-N-[4-[9-(4-triphenylen-2-ylphenyl)carbazol-3-yl]phenyl]naphthalen-1-amine
CID 89492126
5-(4-bromophenyl)-9-(4-phenylphenyl)-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaene
CID 58050178
N-phenyl-N-[4-[4-(10-phenylbenzo[c]carbazol-7-yl)phenyl]phenyl]-4-(4-phenylphenyl)aniline
CID 90296031
1-N,3-N,5-N-tris[6,9-bis(4-phenylphenyl)carbazol-3-yl]-1-N,3-N-dinaphthalen-1-yl-5-N-phenylbenzene-1,3,5-triamine
CID 88673324
N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 67472370
3,6-bis(4-carbazol-9-ylphenyl)-9-naphthalen-2-ylcarbazole;N-[4-[6-[4-(N-naphthalen-1-ylanilino)phenyl]-9-phenylcarbazol-3-yl]phenyl]-N-phenylnaphthalen-1-amine;4-[9-naphthalen-2-yl-6-[4-(N-phenylanilino)phenyl]carbazol-3-yl]-N,N-diphenylaniline;N-[4-[9-naphthalen-2-yl-6-[4-(N-(4-phenylphenyl)anilino)phenyl]carbazol-3-yl]phenyl]-N,4-diphenylaniline
CID 158432139
N-[4-[4-(2-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 118152627

Frequently Asked Questions

What is the IUPAC name of N-[4-[9-(4-fluorophenyl)-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaen-5-yl]phenyl]-N-phenylnaphthalen-1-amine?
The IUPAC name of N-[4-[9-(4-fluorophenyl)-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaen-5-yl]phenyl]-N-phenylnaphthalen-1-amine (CID 58050159) is N-[4-[9-(4-fluorophenyl)-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaen-5-yl]phenyl]-N-phenylnaphthalen-1-amine.
What is the SMILES notation for N-[4-[9-(4-fluorophenyl)-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaen-5-yl]phenyl]-N-phenylnaphthalen-1-amine?
The canonical SMILES for N-[4-[9-(4-fluorophenyl)-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaen-5-yl]phenyl]-N-phenylnaphthalen-1-amine is Fc1ccc(-n2c3ccc(-c4ccc(N(c5ccccc5)c5cccc6ccccc56)cc4)cc3c3c4ccc5cccc6ccc(cc32)c4c65)cc1.
What is the InChIKey of N-[4-[9-(4-fluorophenyl)-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaen-5-yl]phenyl]-N-phenylnaphthalen-1-amine?
The InChIKey is QZASTJDLSDZFGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H31FN2/c51-38-22-26-41(27-23-38)53-46-29-21-36(30-44(46)50-43-28-20-35-11-6-10-34-16-17-37(31-47(50)53)49(43)48(34)35)32-18-24-40(25-19-32)52(39-12-2-1-3-13-39)45-15-7-9-33-8-4-5-14-42(33)45/h1-31H.
What are the key properties of N-[4-[9-(4-fluorophenyl)-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaen-5-yl]phenyl]-N-phenylnaphthalen-1-amine?
N-[4-[9-(4-fluorophenyl)-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaen-5-yl]phenyl]-N-phenylnaphthalen-1-amine has a molecular weight of 678.81 g/mol, XLogP of 14.11, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[9-(4-fluorophenyl)-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaen-5-yl]phenyl]-N-phenylnaphthalen-1-amine is sourced from PubChem (CID 58050159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).