23-(3,4-diphenylphenyl)-4-phenyl-23-azahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14,16,18(22),19-undecaene

C46H29N — CID 164840555

IUPAC23-(3,4-diphenylphenyl)-4-phenyl-23-azahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14,16,18(22),19-undecaene
SMILESc1ccc(-c2cc3c4c5c(cccc5n(-c5ccc(-c6ccccc6)c(-c6ccccc6)c5)c4c2)-c2cccc4cccc-3c24)cc1
InChIInChI=1S/C46H29N/c1-4-13-30(14-5-1)34-27-41-39-22-11-20-33-19-10-21-37(44(33)39)38-23-12-24-42-45(38)46(41)43(28-34)47(42)35-25-26-36(31-15-6-2-7-16-31)40(29-35)32-17-8-3-9-18-32/h1-29H
InChIKeyBKMDZOZRLKGLTI-UHFFFAOYSA-N
MW595.75 g/mol
LogP12.59
Rot. Bonds4

About 23-(3,4-diphenylphenyl)-4-phenyl-23-azahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14,16,18(22),19-undecaene

23-(3,4-diphenylphenyl)-4-phenyl-23-azahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14,16,18(22),19-undecaene (PubChem CID 164840555) has the molecular formula C46H29N and a molecular weight of 595.75 g/mol. Its IUPAC name is 23-(3,4-diphenylphenyl)-4-phenyl-23-azahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14,16,18(22),19-undecaene.

Molecular Properties

Compound Name23-(3,4-diphenylphenyl)-4-phenyl-23-azahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14,16,18(22),19-undecaene
PubChem CID164840555
Molecular FormulaC46H29N
Molecular Weight595.75 g/mol
Exact Mass595.23
IUPAC Name23-(3,4-diphenylphenyl)-4-phenyl-23-azahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14,16,18(22),19-undecaene
SMILESc1ccc(-c2cc3c4c5c(cccc5n(-c5ccc(-c6ccccc6)c(-c6ccccc6)c5)c4c2)-c2cccc4cccc-3c24)cc1
InChIInChI=1S/C46H29N/c1-4-13-30(14-5-1)34-27-41-39-22-11-20-33-19-10-21-37(44(33)39)38-23-12-24-42-45(38)46(41)43(28-34)47(42)35-25-26-36(31-15-6-2-7-16-31)40(29-35)32-17-8-3-9-18-32/h1-29H
InChIKeyBKMDZOZRLKGLTI-UHFFFAOYSA-N
XLogP12.59
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500595.75
LogP ≤ 512.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 23-(3,4-diphenylphenyl)-4-phenyl-23-azahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14,16,18(22),19-undecaene with MolForge

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Related Compounds

3-(23-azahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14,16,18(22),19-undecaen-23-yl)-N,N-diphenylaniline;N,N-diphenyl-4-(17-phenyl-23-azahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14(22),15,17,19-undecaen-23-yl)aniline;23-(3,4-diphenylphenyl)-4-phenyl-23-azahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14,16,18(22),19-undecaene;4-phenyl-23-(3-phenylphenyl)-23-azahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14,16,18(22),19-undecaene;4-phenyl-23-(4-phenylphenyl)-23-azahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14,16,18(22),19-undecaene;4-phenyl-23-[3-(2-phenylphenyl)phenyl]-23-azahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14,16,18(22),19-undecaene
CID 167620901
9-(3,4-diphenylphenyl)-4-[9-(3,4-diphenylphenyl)carbazol-4-yl]carbazole
CID 165386118
23-[4-(10-phenylanthracen-9-yl)phenyl]-23-azahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14,16,18(22),19-undecaene
CID 155429764
10,10-dimethyl-30-[4-(2-phenylphenyl)phenyl]-30-azaoctacyclo[19.7.1.113,16.02,14.03,11.04,9.015,20.025,29]triaconta-1(28),2,4,6,8,11,13,15(20),16,18,21,23,25(29),26-tetradecaene
CID 155429749
4-[9-(3,4-diphenylphenyl)carbazol-2-yl]-9-(3-phenylphenyl)carbazole
CID 165386054
9-(3-fluoranthen-2-ylphenyl)-2-[9-[9-[9-(3-fluoranthen-2-ylphenyl)carbazol-3-yl]carbazol-3-yl]carbazol-3-yl]-6-(3-phenylcarbazol-9-yl)carbazole
CID 163849353
2,4,9-triphenyl-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 171437944
9-(4-fluoranthen-8-ylphenyl)-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene
CID 118580856
9-(3-fluoranthen-2-ylphenyl)-3,6-diphenylcarbazole
CID 130294968
9-phenyl-17-(7-phenylnaphthalen-2-yl)-9,17-diazaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaene
CID 163594520
23-(4,6-diphenylpyrimidin-2-yl)-5-phenyl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene
CID 155009764
9-[3-(4-carbazol-9-yl-2-phenylphenyl)phenyl]carbazole
CID 170059841

Frequently Asked Questions

What is the IUPAC name of 23-(3,4-diphenylphenyl)-4-phenyl-23-azahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14,16,18(22),19-undecaene?
The IUPAC name of 23-(3,4-diphenylphenyl)-4-phenyl-23-azahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14,16,18(22),19-undecaene (CID 164840555) is 23-(3,4-diphenylphenyl)-4-phenyl-23-azahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14,16,18(22),19-undecaene.
What is the SMILES notation for 23-(3,4-diphenylphenyl)-4-phenyl-23-azahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14,16,18(22),19-undecaene?
The canonical SMILES for 23-(3,4-diphenylphenyl)-4-phenyl-23-azahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14,16,18(22),19-undecaene is c1ccc(-c2cc3c4c5c(cccc5n(-c5ccc(-c6ccccc6)c(-c6ccccc6)c5)c4c2)-c2cccc4cccc-3c24)cc1.
What is the InChIKey of 23-(3,4-diphenylphenyl)-4-phenyl-23-azahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14,16,18(22),19-undecaene?
The InChIKey is BKMDZOZRLKGLTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29N/c1-4-13-30(14-5-1)34-27-41-39-22-11-20-33-19-10-21-37(44(33)39)38-23-12-24-42-45(38)46(41)43(28-34)47(42)35-25-26-36(31-15-6-2-7-16-31)40(29-35)32-17-8-3-9-18-32/h1-29H.
What are the key properties of 23-(3,4-diphenylphenyl)-4-phenyl-23-azahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14,16,18(22),19-undecaene?
23-(3,4-diphenylphenyl)-4-phenyl-23-azahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14,16,18(22),19-undecaene has a molecular weight of 595.75 g/mol, XLogP of 12.59, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 23-(3,4-diphenylphenyl)-4-phenyl-23-azahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14,16,18(22),19-undecaene is sourced from PubChem (CID 164840555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).