N-[4-[4-(12,12-dimethyl-24-oxa-15-azaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.018,23]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),18,20,22,26-dodecaen-15-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine

C55H38N2O — CID 147987572

IUPACN-[4-[4-(12,12-dimethyl-24-oxa-15-azaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.018,23]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),18,20,22,26-dodecaen-15-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine
SMILESCC1(C)c2ccccc2-c2ccc3c4ccc5oc6ccccc6c5c4n(-c4ccc(-c5ccc(N(c6ccccc6)c6ccc7ccccc7c6)cc5)cc4)c3c21
InChIInChI=1S/C55H38N2O/c1-55(2)48-18-10-8-16-43(48)44-30-31-46-45-32-33-50-51(47-17-9-11-19-49(47)58-50)53(45)57(54(46)52(44)55)41-27-22-37(23-28-41)36-20-25-40(26-21-36)56(39-14-4-3-5-15-39)42-29-24-35-12-6-7-13-38(35)34-42/h3-34H,1-2H3
InChIKeyIUKPEKJXHBQDNC-UHFFFAOYSA-N
MW742.92 g/mol
LogP15.28
Rot. Bonds5

About N-[4-[4-(12,12-dimethyl-24-oxa-15-azaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.018,23]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),18,20,22,26-dodecaen-15-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine

N-[4-[4-(12,12-dimethyl-24-oxa-15-azaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.018,23]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),18,20,22,26-dodecaen-15-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine (PubChem CID 147987572) has the molecular formula C55H38N2O and a molecular weight of 742.92 g/mol. Its IUPAC name is N-[4-[4-(12,12-dimethyl-24-oxa-15-azaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.018,23]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),18,20,22,26-dodecaen-15-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine.

Molecular Properties

Compound NameN-[4-[4-(12,12-dimethyl-24-oxa-15-azaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.018,23]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),18,20,22,26-dodecaen-15-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine
PubChem CID147987572
Molecular FormulaC55H38N2O
Molecular Weight742.92 g/mol
Exact Mass742.30
IUPAC NameN-[4-[4-(12,12-dimethyl-24-oxa-15-azaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.018,23]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),18,20,22,26-dodecaen-15-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine
SMILESCC1(C)c2ccccc2-c2ccc3c4ccc5oc6ccccc6c5c4n(-c4ccc(-c5ccc(N(c6ccccc6)c6ccc7ccccc7c6)cc5)cc4)c3c21
InChIInChI=1S/C55H38N2O/c1-55(2)48-18-10-8-16-43(48)44-30-31-46-45-32-33-50-51(47-17-9-11-19-49(47)58-50)53(45)57(54(46)52(44)55)41-27-22-37(23-28-41)36-20-25-40(26-21-36)56(39-14-4-3-5-15-39)42-29-24-35-12-6-7-13-38(35)34-42/h3-34H,1-2H3
InChIKeyIUKPEKJXHBQDNC-UHFFFAOYSA-N
XLogP15.28
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500742.92
LogP ≤ 515.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[4-[4-(12,12-dimethyl-24-oxa-15-azaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.018,23]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),18,20,22,26-dodecaen-15-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine with MolForge

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Related Compounds

N-[4-[4-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]phenyl]-9,9-dimethyl-8-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 118405465
12,12-dimethyl-N,N-bis(4-naphthalen-2-ylphenyl)fluoreno[1,2-b][1]benzofuran-8-amine
CID 146647827
12,12-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-phenylfluoreno[1,2-b][1]benzofuran-2-amine
CID 146437090
N-[4-[4-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]phenyl]-9,9-dimethyl-7-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 118405433
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-3-naphthalen-2-ylaniline
CID 167323768
N-(9,9-dimethylfluoren-2-yl)-18,18-dimethyl-15-phenyl-N-(4-phenylphenyl)-10-oxa-15-azaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.019,24]heptacosa-1(16),2(14),3(11),4(9),5,7,12,17(25),19,21,23,26-dodecaen-7-amine
CID 163865645
N-(4-carbazol-9-ylphenyl)-N-[4-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]-4-phenylaniline
CID 66585182
9,9-dimethyl-N-naphthalen-2-yl-N-[4-(2-phenyldibenzofuran-3-yl)phenyl]fluoren-2-amine;N,N-diphenyl-4-[4-(2-phenyldibenzofuran-3-yl)phenyl]aniline;N,4-diphenyl-N-[4-[4-(2-phenyldibenzofuran-3-yl)phenyl]phenyl]aniline;4-phenyl-N-[4-[4-(2-phenyldibenzofuran-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 161039193
N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;11-(4-naphthalen-2-ylphenyl)-N,N-diphenylbenzo[a]carbazol-2-amine
CID 161447502
12,12-dimethyl-N,N-bis(4-phenylphenyl)fluoreno[1,2-b][1]benzofuran-3-amine;12,12-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-phenylfluoreno[1,2-b][1]benzofuran-2-amine;12,12-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-phenylfluoreno[1,2-b][1]benzofuran-3-amine
CID 163434632
N-[3-[3-[4-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 118490399
N-(4-carbazol-9-ylphenyl)-4-dibenzofuran-2-yl-N-[4-(3,5-diphenylphenyl)phenyl]aniline;N-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethylfluoren-2-amine;N-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-2-ylphenyl)-4-naphthalen-2-ylaniline;4-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-2-ylphenyl)-N-phenylaniline;N-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-2-ylphenyl)-4-(4-phenylphenyl)aniline;N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-2-ylphenyl)-4-methylaniline
CID 162052470

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(12,12-dimethyl-24-oxa-15-azaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.018,23]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),18,20,22,26-dodecaen-15-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine?
The IUPAC name of N-[4-[4-(12,12-dimethyl-24-oxa-15-azaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.018,23]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),18,20,22,26-dodecaen-15-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine (CID 147987572) is N-[4-[4-(12,12-dimethyl-24-oxa-15-azaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.018,23]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),18,20,22,26-dodecaen-15-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine.
What is the SMILES notation for N-[4-[4-(12,12-dimethyl-24-oxa-15-azaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.018,23]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),18,20,22,26-dodecaen-15-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine?
The canonical SMILES for N-[4-[4-(12,12-dimethyl-24-oxa-15-azaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.018,23]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),18,20,22,26-dodecaen-15-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine is CC1(C)c2ccccc2-c2ccc3c4ccc5oc6ccccc6c5c4n(-c4ccc(-c5ccc(N(c6ccccc6)c6ccc7ccccc7c6)cc5)cc4)c3c21.
What is the InChIKey of N-[4-[4-(12,12-dimethyl-24-oxa-15-azaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.018,23]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),18,20,22,26-dodecaen-15-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine?
The InChIKey is IUKPEKJXHBQDNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H38N2O/c1-55(2)48-18-10-8-16-43(48)44-30-31-46-45-32-33-50-51(47-17-9-11-19-49(47)58-50)53(45)57(54(46)52(44)55)41-27-22-37(23-28-41)36-20-25-40(26-21-36)56(39-14-4-3-5-15-39)42-29-24-35-12-6-7-13-38(35)34-42/h3-34H,1-2H3.
What are the key properties of N-[4-[4-(12,12-dimethyl-24-oxa-15-azaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.018,23]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),18,20,22,26-dodecaen-15-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine?
N-[4-[4-(12,12-dimethyl-24-oxa-15-azaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.018,23]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),18,20,22,26-dodecaen-15-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine has a molecular weight of 742.92 g/mol, XLogP of 15.28, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(12,12-dimethyl-24-oxa-15-azaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.018,23]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),18,20,22,26-dodecaen-15-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine is sourced from PubChem (CID 147987572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).