N,N-diphenyl-4-[23-[4-(N-phenylanilino)phenyl]-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8,10,12,15(20),16,18,21(25),22-dodecaen-18-yl]aniline

C60H41N3 — CID 121386055

IUPACN,N-diphenyl-4-[23-[4-(N-phenylanilino)phenyl]-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8,10,12,15(20),16,18,21(25),22-dodecaen-18-yl]aniline
SMILESc1ccc(N(c2ccccc2)c2ccc(-c3ccc4c(c3)c3cc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)cc5c3n4-c3ccccc3-c3ccccc3-5)cc2)cc1
InChIInChI=1S/C60H41N3/c1-5-17-46(18-6-1)61(47-19-7-2-8-20-47)50-34-29-42(30-35-50)44-33-38-59-55(39-44)57-41-45(40-56-53-26-14-13-25-52(53)54-27-15-16-28-58(54)63(59)60(56)57)43-31-36-51(37-32-43)62(48-21-9-3-10-22-48)49-23-11-4-12-24-49/h1-41H
InChIKeyMOWNVDTUDLIQNG-UHFFFAOYSA-N
MW804.01 g/mol
LogP16.70
Rot. Bonds8

About N,N-diphenyl-4-[23-[4-(N-phenylanilino)phenyl]-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8,10,12,15(20),16,18,21(25),22-dodecaen-18-yl]aniline

N,N-diphenyl-4-[23-[4-(N-phenylanilino)phenyl]-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8,10,12,15(20),16,18,21(25),22-dodecaen-18-yl]aniline (PubChem CID 121386055) has the molecular formula C60H41N3 and a molecular weight of 804.01 g/mol. Its IUPAC name is N,N-diphenyl-4-[23-[4-(N-phenylanilino)phenyl]-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8,10,12,15(20),16,18,21(25),22-dodecaen-18-yl]aniline.

Molecular Properties

Compound NameN,N-diphenyl-4-[23-[4-(N-phenylanilino)phenyl]-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8,10,12,15(20),16,18,21(25),22-dodecaen-18-yl]aniline
PubChem CID121386055
Molecular FormulaC60H41N3
Molecular Weight804.01 g/mol
Exact Mass803.33
IUPAC NameN,N-diphenyl-4-[23-[4-(N-phenylanilino)phenyl]-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8,10,12,15(20),16,18,21(25),22-dodecaen-18-yl]aniline
SMILESc1ccc(N(c2ccccc2)c2ccc(-c3ccc4c(c3)c3cc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)cc5c3n4-c3ccccc3-c3ccccc3-5)cc2)cc1
InChIInChI=1S/C60H41N3/c1-5-17-46(18-6-1)61(47-19-7-2-8-20-47)50-34-29-42(30-35-50)44-33-38-59-55(39-44)57-41-45(40-56-53-26-14-13-25-52(53)54-27-15-16-28-58(54)63(59)60(56)57)43-31-36-51(37-32-43)62(48-21-9-3-10-22-48)49-23-11-4-12-24-49/h1-41H
InChIKeyMOWNVDTUDLIQNG-UHFFFAOYSA-N
XLogP16.70
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500804.01
LogP ≤ 516.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N,N-diphenyl-4-[23-[4-(N-phenylanilino)phenyl]-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8,10,12,15(20),16,18,21(25),22-dodecaen-18-yl]aniline with MolForge

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Related Compounds

23-phenyl-10,18-bis(3-phenylphenyl)-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15(20),16,18,21(25),22-dodecaene
CID 121446881
N-[4-[2-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N,4-diphenylaniline
CID 167322731
10,24-bis(3,5-diphenylphenyl)-21,21-dimethyl-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8(13),9,11,15,17,19,22,24-dodecaene;N-[4-(21,21-dimethyl-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15,17,19,22,24-dodecaen-24-yl)phenyl]-3-phenyl-N-(3-phenylphenyl)aniline;10,23-di(triphenylen-2-yl)-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene;10-phenyl-23-triphenylen-2-yl-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene
CID 157260261
4-(1-naphthalen-1-yl-9-phenylcarbazol-3-yl)-N,N-diphenylaniline
CID 172504626
N-phenyl-4-(4-phenylphenyl)-N-[4-[6-phenyl-9-[4-(4-phenylphenyl)phenyl]carbazol-3-yl]phenyl]aniline
CID 122524703
4-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-6-[4-(N-phenylanilino)phenyl]carbazol-3-yl]-N,N-diphenylaniline
CID 90211178
23-(9-phenylcarbazol-2-yl)-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8,10,12,15,17,19,21(25),22-dodecaene
CID 145085317
9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine
CID 164936474
10,23-di(triphenylen-2-yl)-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene
CID 121446866
13,13-dimethyl-N,N-diphenyl-5-[4-(N-phenylanilino)phenyl]-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-10-amine
CID 70893229
N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-[9-[2-[9-phenyl-6-[4-(4-phenyl-N-[4-[9-phenyl-8-[2-[3-[4-(N-[4-(9-phenylcarbazol-3-yl)phenyl]anilino)phenyl]carbazol-9-yl]phenyl]carbazol-3-yl]phenyl]anilino)phenyl]carbazol-1-yl]phenyl]carbazol-3-yl]phenyl]naphthalen-1-amine
CID 163615768
27-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]-18-azaheptacyclo[16.10.1.02,11.04,9.012,17.019,24.025,29]nonacosa-1(28),2,4,6,8,10,12,14,16,19,21,23,25(29),26-tetradecaene
CID 121355785

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-4-[23-[4-(N-phenylanilino)phenyl]-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8,10,12,15(20),16,18,21(25),22-dodecaen-18-yl]aniline?
The IUPAC name of N,N-diphenyl-4-[23-[4-(N-phenylanilino)phenyl]-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8,10,12,15(20),16,18,21(25),22-dodecaen-18-yl]aniline (CID 121386055) is N,N-diphenyl-4-[23-[4-(N-phenylanilino)phenyl]-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8,10,12,15(20),16,18,21(25),22-dodecaen-18-yl]aniline.
What is the SMILES notation for N,N-diphenyl-4-[23-[4-(N-phenylanilino)phenyl]-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8,10,12,15(20),16,18,21(25),22-dodecaen-18-yl]aniline?
The canonical SMILES for N,N-diphenyl-4-[23-[4-(N-phenylanilino)phenyl]-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8,10,12,15(20),16,18,21(25),22-dodecaen-18-yl]aniline is c1ccc(N(c2ccccc2)c2ccc(-c3ccc4c(c3)c3cc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)cc5c3n4-c3ccccc3-c3ccccc3-5)cc2)cc1.
What is the InChIKey of N,N-diphenyl-4-[23-[4-(N-phenylanilino)phenyl]-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8,10,12,15(20),16,18,21(25),22-dodecaen-18-yl]aniline?
The InChIKey is MOWNVDTUDLIQNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H41N3/c1-5-17-46(18-6-1)61(47-19-7-2-8-20-47)50-34-29-42(30-35-50)44-33-38-59-55(39-44)57-41-45(40-56-53-26-14-13-25-52(53)54-27-15-16-28-58(54)63(59)60(56)57)43-31-36-51(37-32-43)62(48-21-9-3-10-22-48)49-23-11-4-12-24-49/h1-41H.
What are the key properties of N,N-diphenyl-4-[23-[4-(N-phenylanilino)phenyl]-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8,10,12,15(20),16,18,21(25),22-dodecaen-18-yl]aniline?
N,N-diphenyl-4-[23-[4-(N-phenylanilino)phenyl]-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8,10,12,15(20),16,18,21(25),22-dodecaen-18-yl]aniline has a molecular weight of 804.01 g/mol, XLogP of 16.70, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-4-[23-[4-(N-phenylanilino)phenyl]-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8,10,12,15(20),16,18,21(25),22-dodecaen-18-yl]aniline is sourced from PubChem (CID 121386055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).