N,N-diphenyl-4-[2,3,7,8-tetramethyl-10-[4-(N-phenylanilino)phenyl]phenazin-5-yl]aniline

C52H44N4 — CID 155421129

IUPACN,N-diphenyl-4-[2,3,7,8-tetramethyl-10-[4-(N-phenylanilino)phenyl]phenazin-5-yl]aniline
SMILESCc1cc2c(cc1C)N(c1ccc(N(c3ccccc3)c3ccccc3)cc1)c1cc(C)c(C)cc1N2c1ccc(N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C52H44N4/c1-37-33-49-50(34-38(37)2)56(48-31-27-46(28-32-48)54(43-21-13-7-14-22-43)44-23-15-8-16-24-44)52-36-40(4)39(3)35-51(52)55(49)47-29-25-45(26-30-47)53(41-17-9-5-10-18-41)42-19-11-6-12-20-42/h5-36H,1-4H3
InChIKeyQIOJZEMXRBKUKF-UHFFFAOYSA-N
MW724.95 g/mol
LogP15.11
Rot. Bonds8

About N,N-diphenyl-4-[2,3,7,8-tetramethyl-10-[4-(N-phenylanilino)phenyl]phenazin-5-yl]aniline

N,N-diphenyl-4-[2,3,7,8-tetramethyl-10-[4-(N-phenylanilino)phenyl]phenazin-5-yl]aniline (PubChem CID 155421129) has the molecular formula C52H44N4 and a molecular weight of 724.95 g/mol. Its IUPAC name is N,N-diphenyl-4-[2,3,7,8-tetramethyl-10-[4-(N-phenylanilino)phenyl]phenazin-5-yl]aniline.

Molecular Properties

Compound NameN,N-diphenyl-4-[2,3,7,8-tetramethyl-10-[4-(N-phenylanilino)phenyl]phenazin-5-yl]aniline
PubChem CID155421129
Molecular FormulaC52H44N4
Molecular Weight724.95 g/mol
Exact Mass724.36
IUPAC NameN,N-diphenyl-4-[2,3,7,8-tetramethyl-10-[4-(N-phenylanilino)phenyl]phenazin-5-yl]aniline
SMILESCc1cc2c(cc1C)N(c1ccc(N(c3ccccc3)c3ccccc3)cc1)c1cc(C)c(C)cc1N2c1ccc(N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C52H44N4/c1-37-33-49-50(34-38(37)2)56(48-31-27-46(28-32-48)54(43-21-13-7-14-22-43)44-23-15-8-16-24-44)52-36-40(4)39(3)35-51(52)55(49)47-29-25-45(26-30-47)53(41-17-9-5-10-18-41)42-19-11-6-12-20-42/h5-36H,1-4H3
InChIKeyQIOJZEMXRBKUKF-UHFFFAOYSA-N
XLogP15.11
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500724.95
LogP ≤ 515.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[2,3-dimethyl-5-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]benzo[b]phenazin-12-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 20767452
N,N-diphenyl-4-[10-[4-(N-phenylanilino)phenyl]phenazin-5-yl]aniline
CID 101231967
2,3-dimethyl-5,12-bis(4-phenylphenyl)benzo[b]phenazine;methane
CID 160942260
ethane;1-N,1-N,4-N,4-N-tetraphenylbenzene-1,4-diamine
CID 91310242
N,N-diphenylaniline;silane
CID 131739129
N-[4-[4-[4-(N-(3,4-dimethylphenyl)anilino)phenyl]phenyl]phenyl]-3,4-dimethyl-N-phenylaniline
CID 137434908
4-N-(4-phenoxazin-10-ylphenyl)-4-N-phenylbenzene-1,4-diamine
CID 163598234
4-methyl-1-N,3-N-diphenyl-1-N,3-N-bis[4-(N-phenylanilino)phenyl]benzene-1,3-diamine
CID 158926819
4-[4-(14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-14-yl)phenyl]-N,N-bis[4-[4-(14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-14-yl)phenyl]phenyl]aniline
CID 22960197
5-N,5-N-bis(3,4-dimethylphenyl)-10-methyl-17-N,17-N,14-triphenyl-8-oxa-14-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-5,17-diamine
CID 144878861
4-(9,9-dimethyl-10-phenylacridin-3-yl)-N,N-diphenylaniline
CID 121258967
N,4-diphenyl-N-[4-[3-(14-phenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)phenyl]phenyl]aniline
CID 129062206

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-4-[2,3,7,8-tetramethyl-10-[4-(N-phenylanilino)phenyl]phenazin-5-yl]aniline?
The IUPAC name of N,N-diphenyl-4-[2,3,7,8-tetramethyl-10-[4-(N-phenylanilino)phenyl]phenazin-5-yl]aniline (CID 155421129) is N,N-diphenyl-4-[2,3,7,8-tetramethyl-10-[4-(N-phenylanilino)phenyl]phenazin-5-yl]aniline.
What is the SMILES notation for N,N-diphenyl-4-[2,3,7,8-tetramethyl-10-[4-(N-phenylanilino)phenyl]phenazin-5-yl]aniline?
The canonical SMILES for N,N-diphenyl-4-[2,3,7,8-tetramethyl-10-[4-(N-phenylanilino)phenyl]phenazin-5-yl]aniline is Cc1cc2c(cc1C)N(c1ccc(N(c3ccccc3)c3ccccc3)cc1)c1cc(C)c(C)cc1N2c1ccc(N(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N,N-diphenyl-4-[2,3,7,8-tetramethyl-10-[4-(N-phenylanilino)phenyl]phenazin-5-yl]aniline?
The InChIKey is QIOJZEMXRBKUKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H44N4/c1-37-33-49-50(34-38(37)2)56(48-31-27-46(28-32-48)54(43-21-13-7-14-22-43)44-23-15-8-16-24-44)52-36-40(4)39(3)35-51(52)55(49)47-29-25-45(26-30-47)53(41-17-9-5-10-18-41)42-19-11-6-12-20-42/h5-36H,1-4H3.
What are the key properties of N,N-diphenyl-4-[2,3,7,8-tetramethyl-10-[4-(N-phenylanilino)phenyl]phenazin-5-yl]aniline?
N,N-diphenyl-4-[2,3,7,8-tetramethyl-10-[4-(N-phenylanilino)phenyl]phenazin-5-yl]aniline has a molecular weight of 724.95 g/mol, XLogP of 15.11, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-4-[2,3,7,8-tetramethyl-10-[4-(N-phenylanilino)phenyl]phenazin-5-yl]aniline is sourced from PubChem (CID 155421129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).