N,N-diphenyl-4-(5,5,19,19-tetramethyl-16-phenyl-2-heptacyclo[15.11.0.03,15.04,12.06,11.018,26.020,25]octacosa-1,3(15),4(12),6,8,10,13,16,18(26),20,22,24,27-tridecaenyl)aniline

C56H43N — CID 58142463

IUPACN,N-diphenyl-4-(5,5,19,19-tetramethyl-16-phenyl-2-heptacyclo[15.11.0.03,15.04,12.06,11.018,26.020,25]octacosa-1,3(15),4(12),6,8,10,13,16,18(26),20,22,24,27-tridecaenyl)aniline
SMILESCC1(C)c2ccccc2-c2ccc3c(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)c4c5c(ccc4c(-c4ccccc4)c3c21)-c1ccccc1C5(C)C
InChIInChI=1S/C56H43N/c1-55(2)47-26-16-14-24-41(47)43-33-35-46-50(37-28-30-40(31-29-37)57(38-20-10-6-11-21-38)39-22-12-7-13-23-39)52-45(49(51(46)53(43)55)36-18-8-5-9-19-36)34-32-44-42-25-15-17-27-48(42)56(3,4)54(44)52/h5-35H,1-4H3
InChIKeySZZHEXTURMHZEX-UHFFFAOYSA-N
MW729.97 g/mol
LogP15.41
Rot. Bonds5

About N,N-diphenyl-4-(5,5,19,19-tetramethyl-16-phenyl-2-heptacyclo[15.11.0.03,15.04,12.06,11.018,26.020,25]octacosa-1,3(15),4(12),6,8,10,13,16,18(26),20,22,24,27-tridecaenyl)aniline

N,N-diphenyl-4-(5,5,19,19-tetramethyl-16-phenyl-2-heptacyclo[15.11.0.03,15.04,12.06,11.018,26.020,25]octacosa-1,3(15),4(12),6,8,10,13,16,18(26),20,22,24,27-tridecaenyl)aniline (PubChem CID 58142463) has the molecular formula C56H43N and a molecular weight of 729.97 g/mol. Its IUPAC name is N,N-diphenyl-4-(5,5,19,19-tetramethyl-16-phenyl-2-heptacyclo[15.11.0.03,15.04,12.06,11.018,26.020,25]octacosa-1,3(15),4(12),6,8,10,13,16,18(26),20,22,24,27-tridecaenyl)aniline.

Molecular Properties

Compound NameN,N-diphenyl-4-(5,5,19,19-tetramethyl-16-phenyl-2-heptacyclo[15.11.0.03,15.04,12.06,11.018,26.020,25]octacosa-1,3(15),4(12),6,8,10,13,16,18(26),20,22,24,27-tridecaenyl)aniline
PubChem CID58142463
Molecular FormulaC56H43N
Molecular Weight729.97 g/mol
Exact Mass729.34
IUPAC NameN,N-diphenyl-4-(5,5,19,19-tetramethyl-16-phenyl-2-heptacyclo[15.11.0.03,15.04,12.06,11.018,26.020,25]octacosa-1,3(15),4(12),6,8,10,13,16,18(26),20,22,24,27-tridecaenyl)aniline
SMILESCC1(C)c2ccccc2-c2ccc3c(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)c4c5c(ccc4c(-c4ccccc4)c3c21)-c1ccccc1C5(C)C
InChIInChI=1S/C56H43N/c1-55(2)47-26-16-14-24-41(47)43-33-35-46-50(37-28-30-40(31-29-37)57(38-20-10-6-11-21-38)39-22-12-7-13-23-39)52-45(49(51(46)53(43)55)36-18-8-5-9-19-36)34-32-44-42-25-15-17-27-48(42)56(3,4)54(44)52/h5-35H,1-4H3
InChIKeySZZHEXTURMHZEX-UHFFFAOYSA-N
XLogP15.41
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500729.97
LogP ≤ 515.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze N,N-diphenyl-4-(5,5,19,19-tetramethyl-16-phenyl-2-heptacyclo[15.11.0.03,15.04,12.06,11.018,26.020,25]octacosa-1,3(15),4(12),6,8,10,13,16,18(26),20,22,24,27-tridecaenyl)aniline with MolForge

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Related Compounds

5,5,19,19-tetramethyl-2,16-diphenylheptacyclo[15.11.0.03,15.04,12.06,11.018,26.020,25]octacosa-1,3(15),4(12),6,8,10,13,16,18(26),20,22,24,27-tridecaene
CID 58142415
9,9-dimethyl-N-phenyl-2-[4-(N-phenylanilino)phenyl]-N-(4-phenylphenyl)fluoren-1-amine
CID 167255464
N-[4-(11,11-dimethyl-5-phenylbenzo[a]fluoren-6-yl)phenyl]-N,4-diphenylaniline
CID 169280371
N-[4-(11,11-dimethylbenzo[a]fluoren-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 139363610
16,16-dimethyl-N-phenyl-N-(4-phenylphenyl)hexacyclo[12.11.0.02,11.03,8.015,23.017,22]pentacosa-1(14),2(11),3(8),4,6,9,12,15(23),17,19,21,24-dodecaen-6-amine
CID 164721855
N,N-bis[4-(2,6-diphenylphenyl)phenyl]-9,9-dimethylfluoren-2-amine
CID 168771647
24,24-dimethyl-N-naphthalen-2-yl-N-(4-phenylphenyl)hexacyclo[12.11.0.02,11.03,8.017,25.018,23]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),18,20,22-dodecaen-6-amine
CID 164721921
3-(9,9-dimethylfluoren-1-yl)-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-N-phenylaniline
CID 154972967
12,12-dimethyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)fluoreno[2,1-b][1]benzothiol-2-amine
CID 161406225
4-N-[4-[4-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]phenyl]-1-N,1-N-diphenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 66585196
N-[4-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 169230595
N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-9,9-dimethyl-N-[4-[2-(4-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 170218178

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-4-(5,5,19,19-tetramethyl-16-phenyl-2-heptacyclo[15.11.0.03,15.04,12.06,11.018,26.020,25]octacosa-1,3(15),4(12),6,8,10,13,16,18(26),20,22,24,27-tridecaenyl)aniline?
The IUPAC name of N,N-diphenyl-4-(5,5,19,19-tetramethyl-16-phenyl-2-heptacyclo[15.11.0.03,15.04,12.06,11.018,26.020,25]octacosa-1,3(15),4(12),6,8,10,13,16,18(26),20,22,24,27-tridecaenyl)aniline (CID 58142463) is N,N-diphenyl-4-(5,5,19,19-tetramethyl-16-phenyl-2-heptacyclo[15.11.0.03,15.04,12.06,11.018,26.020,25]octacosa-1,3(15),4(12),6,8,10,13,16,18(26),20,22,24,27-tridecaenyl)aniline.
What is the SMILES notation for N,N-diphenyl-4-(5,5,19,19-tetramethyl-16-phenyl-2-heptacyclo[15.11.0.03,15.04,12.06,11.018,26.020,25]octacosa-1,3(15),4(12),6,8,10,13,16,18(26),20,22,24,27-tridecaenyl)aniline?
The canonical SMILES for N,N-diphenyl-4-(5,5,19,19-tetramethyl-16-phenyl-2-heptacyclo[15.11.0.03,15.04,12.06,11.018,26.020,25]octacosa-1,3(15),4(12),6,8,10,13,16,18(26),20,22,24,27-tridecaenyl)aniline is CC1(C)c2ccccc2-c2ccc3c(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)c4c5c(ccc4c(-c4ccccc4)c3c21)-c1ccccc1C5(C)C.
What is the InChIKey of N,N-diphenyl-4-(5,5,19,19-tetramethyl-16-phenyl-2-heptacyclo[15.11.0.03,15.04,12.06,11.018,26.020,25]octacosa-1,3(15),4(12),6,8,10,13,16,18(26),20,22,24,27-tridecaenyl)aniline?
The InChIKey is SZZHEXTURMHZEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H43N/c1-55(2)47-26-16-14-24-41(47)43-33-35-46-50(37-28-30-40(31-29-37)57(38-20-10-6-11-21-38)39-22-12-7-13-23-39)52-45(49(51(46)53(43)55)36-18-8-5-9-19-36)34-32-44-42-25-15-17-27-48(42)56(3,4)54(44)52/h5-35H,1-4H3.
What are the key properties of N,N-diphenyl-4-(5,5,19,19-tetramethyl-16-phenyl-2-heptacyclo[15.11.0.03,15.04,12.06,11.018,26.020,25]octacosa-1,3(15),4(12),6,8,10,13,16,18(26),20,22,24,27-tridecaenyl)aniline?
N,N-diphenyl-4-(5,5,19,19-tetramethyl-16-phenyl-2-heptacyclo[15.11.0.03,15.04,12.06,11.018,26.020,25]octacosa-1,3(15),4(12),6,8,10,13,16,18(26),20,22,24,27-tridecaenyl)aniline has a molecular weight of 729.97 g/mol, XLogP of 15.41, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-4-(5,5,19,19-tetramethyl-16-phenyl-2-heptacyclo[15.11.0.03,15.04,12.06,11.018,26.020,25]octacosa-1,3(15),4(12),6,8,10,13,16,18(26),20,22,24,27-tridecaenyl)aniline is sourced from PubChem (CID 58142463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).