25-(3-carbazol-9-ylphenyl)-12-phenyl-12,25-diazaheptacyclo[15.11.0.02,14.05,13.06,11.018,26.019,24]octacosa-1(17),2(14),3,5(13),6,8,10,15,18(26),19,21,23,27-tridecaene

C50H31N3 — CID 142290041

IUPAC25-(3-carbazol-9-ylphenyl)-12-phenyl-12,25-diazaheptacyclo[15.11.0.02,14.05,13.06,11.018,26.019,24]octacosa-1(17),2(14),3,5(13),6,8,10,15,18(26),19,21,23,27-tridecaene
SMILESc1ccc(-n2c3ccccc3c3ccc4c5ccc6c(c5ccc4c32)c2ccccc2n6-c2cccc(-n3c4ccccc4c4ccccc43)c2)cc1
InChIInChI=1S/C50H31N3/c1-2-13-32(14-3-1)53-46-23-10-6-19-39(46)42-27-25-36-35-29-30-48-49(40(35)26-28-41(36)50(42)53)43-20-7-11-24-47(43)52(48)34-16-12-15-33(31-34)51-44-21-8-4-17-37(44)38-18-5-9-22-45(38)51/h1-31H
InChIKeyMVICATGYEXXYBZ-UHFFFAOYSA-N
MW673.82 g/mol
LogP13.28
Rot. Bonds3

About 25-(3-carbazol-9-ylphenyl)-12-phenyl-12,25-diazaheptacyclo[15.11.0.02,14.05,13.06,11.018,26.019,24]octacosa-1(17),2(14),3,5(13),6,8,10,15,18(26),19,21,23,27-tridecaene

25-(3-carbazol-9-ylphenyl)-12-phenyl-12,25-diazaheptacyclo[15.11.0.02,14.05,13.06,11.018,26.019,24]octacosa-1(17),2(14),3,5(13),6,8,10,15,18(26),19,21,23,27-tridecaene (PubChem CID 142290041) has the molecular formula C50H31N3 and a molecular weight of 673.82 g/mol. Its IUPAC name is 25-(3-carbazol-9-ylphenyl)-12-phenyl-12,25-diazaheptacyclo[15.11.0.02,14.05,13.06,11.018,26.019,24]octacosa-1(17),2(14),3,5(13),6,8,10,15,18(26),19,21,23,27-tridecaene.

Molecular Properties

Compound Name25-(3-carbazol-9-ylphenyl)-12-phenyl-12,25-diazaheptacyclo[15.11.0.02,14.05,13.06,11.018,26.019,24]octacosa-1(17),2(14),3,5(13),6,8,10,15,18(26),19,21,23,27-tridecaene
PubChem CID142290041
Molecular FormulaC50H31N3
Molecular Weight673.82 g/mol
Exact Mass673.25
IUPAC Name25-(3-carbazol-9-ylphenyl)-12-phenyl-12,25-diazaheptacyclo[15.11.0.02,14.05,13.06,11.018,26.019,24]octacosa-1(17),2(14),3,5(13),6,8,10,15,18(26),19,21,23,27-tridecaene
SMILESc1ccc(-n2c3ccccc3c3ccc4c5ccc6c(c5ccc4c32)c2ccccc2n6-c2cccc(-n3c4ccccc4c4ccccc43)c2)cc1
InChIInChI=1S/C50H31N3/c1-2-13-32(14-3-1)53-46-23-10-6-19-39(46)42-27-25-36-35-29-30-48-49(40(35)26-28-41(36)50(42)53)43-20-7-11-24-47(43)52(48)34-16-12-15-33(31-34)51-44-21-8-4-17-37(44)38-18-5-9-22-45(38)51/h1-31H
InChIKeyMVICATGYEXXYBZ-UHFFFAOYSA-N
XLogP13.28
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500673.82
LogP ≤ 513.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 25-(3-carbazol-9-ylphenyl)-12-phenyl-12,25-diazaheptacyclo[15.11.0.02,14.05,13.06,11.018,26.019,24]octacosa-1(17),2(14),3,5(13),6,8,10,15,18(26),19,21,23,27-tridecaene with MolForge

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Related Compounds

9,15-diphenyl-9,15-diazahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene
CID 122464932
5-[3-[11-(3-carbazol-9-ylphenyl)indolo[2,3-a]carbazol-12-yl]-5-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-12-phenylindolo[3,2-c]carbazole
CID 88917462
5-phenyl-11-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]indolo[3,2-b]carbazole
CID 58038298
5-(3-carbazol-9-ylphenyl)-11-[3-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]indolo[3,2-b]carbazole
CID 88917500
5-[4-[4-[12-(3-carbazol-9-ylphenyl)indolo[2,3-a]carbazol-11-yl]phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole
CID 88917457
5,12-diphenylindolo[3,2-c]carbazole
CID 22105108
5-(3-carbazol-9-ylphenyl)-11-[3-[12-(3-carbazol-9-ylphenyl)indolo[3,2-c]carbazol-5-yl]phenyl]indolo[3,2-b]carbazole
CID 88917489
12-(4-carbazol-9-ylphenyl)-5-(3-phenylphenyl)indolo[3,2-c]carbazole
CID 134168741
5-phenyl-12-[3-(3-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 153011834
5-phenyl-12-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]indolo[3,2-c]carbazole
CID 134240235
5-(3-phenylphenyl)-12-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 126656172
11-phenyl-12-[9-(9-phenylcarbazol-4-yl)carbazol-3-yl]indolo[2,3-a]carbazole
CID 170268295

Frequently Asked Questions

What is the IUPAC name of 25-(3-carbazol-9-ylphenyl)-12-phenyl-12,25-diazaheptacyclo[15.11.0.02,14.05,13.06,11.018,26.019,24]octacosa-1(17),2(14),3,5(13),6,8,10,15,18(26),19,21,23,27-tridecaene?
The IUPAC name of 25-(3-carbazol-9-ylphenyl)-12-phenyl-12,25-diazaheptacyclo[15.11.0.02,14.05,13.06,11.018,26.019,24]octacosa-1(17),2(14),3,5(13),6,8,10,15,18(26),19,21,23,27-tridecaene (CID 142290041) is 25-(3-carbazol-9-ylphenyl)-12-phenyl-12,25-diazaheptacyclo[15.11.0.02,14.05,13.06,11.018,26.019,24]octacosa-1(17),2(14),3,5(13),6,8,10,15,18(26),19,21,23,27-tridecaene.
What is the SMILES notation for 25-(3-carbazol-9-ylphenyl)-12-phenyl-12,25-diazaheptacyclo[15.11.0.02,14.05,13.06,11.018,26.019,24]octacosa-1(17),2(14),3,5(13),6,8,10,15,18(26),19,21,23,27-tridecaene?
The canonical SMILES for 25-(3-carbazol-9-ylphenyl)-12-phenyl-12,25-diazaheptacyclo[15.11.0.02,14.05,13.06,11.018,26.019,24]octacosa-1(17),2(14),3,5(13),6,8,10,15,18(26),19,21,23,27-tridecaene is c1ccc(-n2c3ccccc3c3ccc4c5ccc6c(c5ccc4c32)c2ccccc2n6-c2cccc(-n3c4ccccc4c4ccccc43)c2)cc1.
What is the InChIKey of 25-(3-carbazol-9-ylphenyl)-12-phenyl-12,25-diazaheptacyclo[15.11.0.02,14.05,13.06,11.018,26.019,24]octacosa-1(17),2(14),3,5(13),6,8,10,15,18(26),19,21,23,27-tridecaene?
The InChIKey is MVICATGYEXXYBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H31N3/c1-2-13-32(14-3-1)53-46-23-10-6-19-39(46)42-27-25-36-35-29-30-48-49(40(35)26-28-41(36)50(42)53)43-20-7-11-24-47(43)52(48)34-16-12-15-33(31-34)51-44-21-8-4-17-37(44)38-18-5-9-22-45(38)51/h1-31H.
What are the key properties of 25-(3-carbazol-9-ylphenyl)-12-phenyl-12,25-diazaheptacyclo[15.11.0.02,14.05,13.06,11.018,26.019,24]octacosa-1(17),2(14),3,5(13),6,8,10,15,18(26),19,21,23,27-tridecaene?
25-(3-carbazol-9-ylphenyl)-12-phenyl-12,25-diazaheptacyclo[15.11.0.02,14.05,13.06,11.018,26.019,24]octacosa-1(17),2(14),3,5(13),6,8,10,15,18(26),19,21,23,27-tridecaene has a molecular weight of 673.82 g/mol, XLogP of 13.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 25-(3-carbazol-9-ylphenyl)-12-phenyl-12,25-diazaheptacyclo[15.11.0.02,14.05,13.06,11.018,26.019,24]octacosa-1(17),2(14),3,5(13),6,8,10,15,18(26),19,21,23,27-tridecaene is sourced from PubChem (CID 142290041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).