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

C48H29N — CID 155429764

IUPAC23-[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
SMILESc1ccc(-c2c3ccccc3c(-c3ccc(-n4c5cccc6c5c5c(cccc54)-c4cccc5cccc-6c45)cc3)c3ccccc23)cc1
InChIInChI=1S/C48H29N/c1-2-12-30(13-3-1)44-34-16-4-6-18-36(34)46(37-19-7-5-17-35(37)44)32-26-28-33(29-27-32)49-42-24-10-22-40-38-20-8-14-31-15-9-21-39(45(31)38)41-23-11-25-43(49)48(41)47(40)42/h1-29H
InChIKeyIYFWCCOPUJZMRV-UHFFFAOYSA-N
MW619.77 g/mol
LogP13.22
Rot. Bonds3

About 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

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 (PubChem CID 155429764) has the molecular formula C48H29N and a molecular weight of 619.77 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name23-[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
PubChem CID155429764
Molecular FormulaC48H29N
Molecular Weight619.77 g/mol
Exact Mass619.23
IUPAC Name23-[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
SMILESc1ccc(-c2c3ccccc3c(-c3ccc(-n4c5cccc6c5c5c(cccc54)-c4cccc5cccc-6c45)cc3)c3ccccc23)cc1
InChIInChI=1S/C48H29N/c1-2-12-30(13-3-1)44-34-16-4-6-18-36(34)46(37-19-7-5-17-35(37)44)32-26-28-33(29-27-32)49-42-24-10-22-40-38-20-8-14-31-15-9-21-39(45(31)38)41-23-11-25-43(49)48(41)47(40)42/h1-29H
InChIKeyIYFWCCOPUJZMRV-UHFFFAOYSA-N
XLogP13.22
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500619.77
LogP ≤ 513.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

23-[3-(10-phenylanthracen-9-yl)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 158340631
12-[4-(10-phenylanthracen-9-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 86675838
9-(4-phenylphenyl)-9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3,5,7,11,13,15(19),16-nonaene
CID 129208210
23-[4-(4-carbazol-9-ylphenyl)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 139497902
5-(4-phenylphenyl)-5-azaheptacyclo[19.7.1.02,14.04,12.06,11.015,20.025,29]nonacosa-1(28),2(14),3,6,8,10,12,15,17,19,21,23,25(29),26-tetradecaene
CID 155771619
21-naphthalen-1-yl-27-phenyl-27-azaheptacyclo[12.11.1.16,9.02,7.08,13.015,20.022,26]heptacosa-1(25),2(7),3,5,8(13),9,11,14(26),15,17,19,21,23-tridecaene
CID 170226043
4-(4-phenylphenyl)-4-azahexacyclo[13.7.1.02,14.03,11.05,10.019,23]tricosa-1(22),2(14),3(11),5,7,9,12,15,17,19(23),20-undecaene
CID 118564873
N-(4-carbazol-9-ylphenyl)-4-(8-phenylnaphthalen-1-yl)aniline
CID 169285498
4-(4-carbazol-9-ylphenyl)-N,N-bis[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170379939
8-phenyl-5-[4-(10-phenylanthracen-9-yl)phenyl]naphtho[2,3-c]carbazole
CID 164740424
9-phenyl-4-[7-(10-phenylanthracen-9-yl)naphthalen-2-yl]carbazole
CID 134391811
9-[6-carbazol-9-yl-9-(4-naphthalen-1-ylphenyl)-10-phenylanthracen-2-yl]carbazole
CID 59219883

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2c3ccccc3c(-c3ccc(-n4c5cccc6c5c5c(cccc54)-c4cccc5cccc-6c45)cc3)c3ccccc23)cc1.
What is the InChIKey of 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?
The InChIKey is IYFWCCOPUJZMRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H29N/c1-2-12-30(13-3-1)44-34-16-4-6-18-36(34)46(37-19-7-5-17-35(37)44)32-26-28-33(29-27-32)49-42-24-10-22-40-38-20-8-14-31-15-9-21-39(45(31)38)41-23-11-25-43(49)48(41)47(40)42/h1-29H.
What are the key properties of 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?
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 has a molecular weight of 619.77 g/mol, XLogP of 13.22, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 155429764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).