26-[6-[3-(9,9-dimethylfluoren-2-yl)phenyl]pyrimidin-4-yl]-2,26-diazaheptacyclo[15.11.0.02,10.03,8.011,16.019,27.020,25]octacosa-1(28),3,5,7,9,11,13,15,17,19(27),20,22,24-tridecaene

C51H34N4 — CID 90432720

IUPAC26-[6-[3-(9,9-dimethylfluoren-2-yl)phenyl]pyrimidin-4-yl]-2,26-diazaheptacyclo[15.11.0.02,10.03,8.011,16.019,27.020,25]octacosa-1(28),3,5,7,9,11,13,15,17,19(27),20,22,24-tridecaene
SMILESCC1(C)c2ccccc2-c2ccc(-c3cccc(-c4cc(-n5c6ccccc6c6cc7c8ccccc8c8cc9ccccc9n8c7cc65)ncn4)c3)cc21
InChIInChI=1S/C51H34N4/c1-51(2)42-19-8-6-16-36(42)37-23-22-32(25-43(37)51)31-13-11-14-33(24-31)44-28-50(53-30-52-44)55-46-21-10-7-18-39(46)41-27-40-35-15-4-5-17-38(35)47-26-34-12-3-9-20-45(34)54(47)48(40)29-49(41)55/h3-30H,1-2H3
InChIKeyPEGWXHGQQHCSER-UHFFFAOYSA-N
MW702.86 g/mol
LogP12.93
Rot. Bonds3

About 26-[6-[3-(9,9-dimethylfluoren-2-yl)phenyl]pyrimidin-4-yl]-2,26-diazaheptacyclo[15.11.0.02,10.03,8.011,16.019,27.020,25]octacosa-1(28),3,5,7,9,11,13,15,17,19(27),20,22,24-tridecaene

26-[6-[3-(9,9-dimethylfluoren-2-yl)phenyl]pyrimidin-4-yl]-2,26-diazaheptacyclo[15.11.0.02,10.03,8.011,16.019,27.020,25]octacosa-1(28),3,5,7,9,11,13,15,17,19(27),20,22,24-tridecaene (PubChem CID 90432720) has the molecular formula C51H34N4 and a molecular weight of 702.86 g/mol. Its IUPAC name is 26-[6-[3-(9,9-dimethylfluoren-2-yl)phenyl]pyrimidin-4-yl]-2,26-diazaheptacyclo[15.11.0.02,10.03,8.011,16.019,27.020,25]octacosa-1(28),3,5,7,9,11,13,15,17,19(27),20,22,24-tridecaene.

Molecular Properties

Compound Name26-[6-[3-(9,9-dimethylfluoren-2-yl)phenyl]pyrimidin-4-yl]-2,26-diazaheptacyclo[15.11.0.02,10.03,8.011,16.019,27.020,25]octacosa-1(28),3,5,7,9,11,13,15,17,19(27),20,22,24-tridecaene
PubChem CID90432720
Molecular FormulaC51H34N4
Molecular Weight702.86 g/mol
Exact Mass702.28
IUPAC Name26-[6-[3-(9,9-dimethylfluoren-2-yl)phenyl]pyrimidin-4-yl]-2,26-diazaheptacyclo[15.11.0.02,10.03,8.011,16.019,27.020,25]octacosa-1(28),3,5,7,9,11,13,15,17,19(27),20,22,24-tridecaene
SMILESCC1(C)c2ccccc2-c2ccc(-c3cccc(-c4cc(-n5c6ccccc6c6cc7c8ccccc8c8cc9ccccc9n8c7cc65)ncn4)c3)cc21
InChIInChI=1S/C51H34N4/c1-51(2)42-19-8-6-16-36(42)37-23-22-32(25-43(37)51)31-13-11-14-33(24-31)44-28-50(53-30-52-44)55-46-21-10-7-18-39(46)41-27-40-35-15-4-5-17-38(35)47-26-34-12-3-9-20-45(34)54(47)48(40)29-49(41)55/h3-30H,1-2H3
InChIKeyPEGWXHGQQHCSER-UHFFFAOYSA-N
XLogP12.93
TPSA35.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500702.86
LogP ≤ 512.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 26-[6-[3-(9,9-dimethylfluoren-2-yl)phenyl]pyrimidin-4-yl]-2,26-diazaheptacyclo[15.11.0.02,10.03,8.011,16.019,27.020,25]octacosa-1(28),3,5,7,9,11,13,15,17,19(27),20,22,24-tridecaene with MolForge

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Related Compounds

12-[6-[3-(9,9-dimethylfluoren-2-yl)phenyl]pyrimidin-4-yl]-1,12-diazaheptacyclo[14.12.0.02,14.05,13.06,11.017,22.023,28]octacosa-2(14),3,5(13),6,8,10,15,17,19,21,23,25,27-tridecaene
CID 118331195
26-[4-[3-(4-phenylphenyl)phenyl]-2-pyridinyl]-2,26-diazaheptacyclo[15.11.0.02,10.03,8.011,16.019,27.020,25]octacosa-1(28),3,5,7,9,11,13,15,17,19(27),20,22,24-tridecaene
CID 90432708
5-[4-(9,9-dimethylfluoren-3-yl)-2-pyridinyl]-1,5-diazaheptacyclo[14.12.0.02,14.04,12.06,11.017,22.023,28]octacosa-2,4(12),6,8,10,13,15,17,19,21,23,25,27-tridecaene
CID 118330738
9-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-(3-triphenylen-2-ylphenyl)carbazole
CID 118919744
9-[4-carbazol-9-yl-6-[4-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]-2-phenylcarbazole
CID 168742539
5-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-2-yl]naphthalen-1-yl]benzo[b]carbazole
CID 134603721
5-(9,9-dimethylfluoren-2-yl)-23-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)-19-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17(22),18,20-dodecaene
CID 121340588
26-[4-(9,9-dimethylfluoren-3-yl)-2-pyridinyl]-2,9,26-triazaheptacyclo[15.11.0.02,10.03,8.011,16.019,27.020,25]octacosa-1(28),3,5,7,9,11,13,15,17,19(27),20,22,24-tridecaene
CID 90432946
9-[6-[4-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]-2-pyridinyl]carbazole
CID 67678292
9-[3-[3-[4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-2-yl]phenyl]phenyl]carbazole
CID 67678509
1-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-phenylcarbazole
CID 129312013
5-(9,9-dimethylfluoren-2-yl)-7-[3-(4-phenylphenyl)phenyl]indolo[2,3-b]carbazole
CID 122595609

Frequently Asked Questions

What is the IUPAC name of 26-[6-[3-(9,9-dimethylfluoren-2-yl)phenyl]pyrimidin-4-yl]-2,26-diazaheptacyclo[15.11.0.02,10.03,8.011,16.019,27.020,25]octacosa-1(28),3,5,7,9,11,13,15,17,19(27),20,22,24-tridecaene?
The IUPAC name of 26-[6-[3-(9,9-dimethylfluoren-2-yl)phenyl]pyrimidin-4-yl]-2,26-diazaheptacyclo[15.11.0.02,10.03,8.011,16.019,27.020,25]octacosa-1(28),3,5,7,9,11,13,15,17,19(27),20,22,24-tridecaene (CID 90432720) is 26-[6-[3-(9,9-dimethylfluoren-2-yl)phenyl]pyrimidin-4-yl]-2,26-diazaheptacyclo[15.11.0.02,10.03,8.011,16.019,27.020,25]octacosa-1(28),3,5,7,9,11,13,15,17,19(27),20,22,24-tridecaene.
What is the SMILES notation for 26-[6-[3-(9,9-dimethylfluoren-2-yl)phenyl]pyrimidin-4-yl]-2,26-diazaheptacyclo[15.11.0.02,10.03,8.011,16.019,27.020,25]octacosa-1(28),3,5,7,9,11,13,15,17,19(27),20,22,24-tridecaene?
The canonical SMILES for 26-[6-[3-(9,9-dimethylfluoren-2-yl)phenyl]pyrimidin-4-yl]-2,26-diazaheptacyclo[15.11.0.02,10.03,8.011,16.019,27.020,25]octacosa-1(28),3,5,7,9,11,13,15,17,19(27),20,22,24-tridecaene is CC1(C)c2ccccc2-c2ccc(-c3cccc(-c4cc(-n5c6ccccc6c6cc7c8ccccc8c8cc9ccccc9n8c7cc65)ncn4)c3)cc21.
What is the InChIKey of 26-[6-[3-(9,9-dimethylfluoren-2-yl)phenyl]pyrimidin-4-yl]-2,26-diazaheptacyclo[15.11.0.02,10.03,8.011,16.019,27.020,25]octacosa-1(28),3,5,7,9,11,13,15,17,19(27),20,22,24-tridecaene?
The InChIKey is PEGWXHGQQHCSER-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H34N4/c1-51(2)42-19-8-6-16-36(42)37-23-22-32(25-43(37)51)31-13-11-14-33(24-31)44-28-50(53-30-52-44)55-46-21-10-7-18-39(46)41-27-40-35-15-4-5-17-38(35)47-26-34-12-3-9-20-45(34)54(47)48(40)29-49(41)55/h3-30H,1-2H3.
What are the key properties of 26-[6-[3-(9,9-dimethylfluoren-2-yl)phenyl]pyrimidin-4-yl]-2,26-diazaheptacyclo[15.11.0.02,10.03,8.011,16.019,27.020,25]octacosa-1(28),3,5,7,9,11,13,15,17,19(27),20,22,24-tridecaene?
26-[6-[3-(9,9-dimethylfluoren-2-yl)phenyl]pyrimidin-4-yl]-2,26-diazaheptacyclo[15.11.0.02,10.03,8.011,16.019,27.020,25]octacosa-1(28),3,5,7,9,11,13,15,17,19(27),20,22,24-tridecaene has a molecular weight of 702.86 g/mol, XLogP of 12.93, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 26-[6-[3-(9,9-dimethylfluoren-2-yl)phenyl]pyrimidin-4-yl]-2,26-diazaheptacyclo[15.11.0.02,10.03,8.011,16.019,27.020,25]octacosa-1(28),3,5,7,9,11,13,15,17,19(27),20,22,24-tridecaene is sourced from PubChem (CID 90432720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).