9-(9,9-dimethylfluoren-2-yl)-20-phenylspiro[2,9,15-triazaheptacyclo[13.11.1.12,10.03,8.017,22.023,27.014,28]octacosa-1(26),3,5,7,10(28),11,13,17(22),18,20,23(27),24-dodecaene-16,1'-cyclopropane]

C48H35N3 — CID 166769088

IUPAC9-(9,9-dimethylfluoren-2-yl)-20-phenylspiro[2,9,15-triazaheptacyclo[13.11.1.12,10.03,8.017,22.023,27.014,28]octacosa-1(26),3,5,7,10(28),11,13,17(22),18,20,23(27),24-dodecaene-16,1'-cyclopropane]
SMILESCC1(C)c2ccccc2-c2ccc(N3c4ccccc4N4c5cccc6c5N(c5cccc3c54)C3(CC3)c3ccc(-c4ccccc4)cc3-6)cc21
InChIInChI=1S/C48H35N3/c1-47(2)37-16-7-6-14-33(37)34-24-23-32(29-39(34)47)49-40-17-8-9-18-41(40)50-42-19-10-15-35-36-28-31(30-12-4-3-5-13-30)22-25-38(36)48(26-27-48)51(45(35)42)44-21-11-20-43(49)46(44)50/h3-25,28-29H,26-27H2,1-2H3
InChIKeyHGJLVTVOCYRAHK-UHFFFAOYSA-N
MW653.83 g/mol
LogP13.03
Rot. Bonds2

About 9-(9,9-dimethylfluoren-2-yl)-20-phenylspiro[2,9,15-triazaheptacyclo[13.11.1.12,10.03,8.017,22.023,27.014,28]octacosa-1(26),3,5,7,10(28),11,13,17(22),18,20,23(27),24-dodecaene-16,1'-cyclopropane]

9-(9,9-dimethylfluoren-2-yl)-20-phenylspiro[2,9,15-triazaheptacyclo[13.11.1.12,10.03,8.017,22.023,27.014,28]octacosa-1(26),3,5,7,10(28),11,13,17(22),18,20,23(27),24-dodecaene-16,1'-cyclopropane] (PubChem CID 166769088) has the molecular formula C48H35N3 and a molecular weight of 653.83 g/mol. Its IUPAC name is 9-(9,9-dimethylfluoren-2-yl)-20-phenylspiro[2,9,15-triazaheptacyclo[13.11.1.12,10.03,8.017,22.023,27.014,28]octacosa-1(26),3,5,7,10(28),11,13,17(22),18,20,23(27),24-dodecaene-16,1'-cyclopropane].

Molecular Properties

Compound Name9-(9,9-dimethylfluoren-2-yl)-20-phenylspiro[2,9,15-triazaheptacyclo[13.11.1.12,10.03,8.017,22.023,27.014,28]octacosa-1(26),3,5,7,10(28),11,13,17(22),18,20,23(27),24-dodecaene-16,1'-cyclopropane]
PubChem CID166769088
Molecular FormulaC48H35N3
Molecular Weight653.83 g/mol
Exact Mass653.28
IUPAC Name9-(9,9-dimethylfluoren-2-yl)-20-phenylspiro[2,9,15-triazaheptacyclo[13.11.1.12,10.03,8.017,22.023,27.014,28]octacosa-1(26),3,5,7,10(28),11,13,17(22),18,20,23(27),24-dodecaene-16,1'-cyclopropane]
SMILESCC1(C)c2ccccc2-c2ccc(N3c4ccccc4N4c5cccc6c5N(c5cccc3c54)C3(CC3)c3ccc(-c4ccccc4)cc3-6)cc21
InChIInChI=1S/C48H35N3/c1-47(2)37-16-7-6-14-33(37)34-24-23-32(29-39(34)47)49-40-17-8-9-18-41(40)50-42-19-10-15-35-36-28-31(30-12-4-3-5-13-30)22-25-38(36)48(26-27-48)51(45(35)42)44-21-11-20-43(49)46(44)50/h3-25,28-29H,26-27H2,1-2H3
InChIKeyHGJLVTVOCYRAHK-UHFFFAOYSA-N
XLogP13.03
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500653.83
LogP ≤ 513.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 9-(9,9-dimethylfluoren-2-yl)-20-phenylspiro[2,9,15-triazaheptacyclo[13.11.1.12,10.03,8.017,22.023,27.014,28]octacosa-1(26),3,5,7,10(28),11,13,17(22),18,20,23(27),24-dodecaene-16,1'-cyclopropane] with MolForge

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Related Compounds

14-(9,9-dimethyl-7-phenylfluoren-2-yl)-10,10,21,21-tetramethyl-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 130439455
10-[14-(9,9-dimethylfluoren-2-yl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl]-14-naphthalen-2-yl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene;10-[14-(9,9-dimethylfluoren-2-yl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl]-14-phenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene;10-[14-(9,9-dimethylfluoren-2-yl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl]-14-(3-phenylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene
CID 158973199
10-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylacridine
CID 155244755
8-(9,9-dimethylfluoren-2-yl)-5-phenyl-8-azapentacyclo[7.7.1.11,14.02,7.013,17]octadeca-2(7),3,5,9,11,13(17)-hexaene
CID 169132206
9,9-dimethyl-2,7-diphenyl-10-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]acridine
CID 168750142
9,9-dimethyl-N-[4-(10-phenylphenazin-5-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 90120877
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CID 158467826
12,27-bis(9,9-dimethylfluoren-2-yl)-12,27-diazaheptacyclo[26.2.2.28,11.213,16.223,26.02,7.017,22]octatriaconta-1(30),2,4,6,8(38),9,11(37),13(36),14,16(35),17,19,21,23,25,28,31,33-octadecaene
CID 121263135
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CID 168782836
10-[14-(9,9-dimethylfluoren-2-yl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl]-14-naphthalen-2-yl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene
CID 122659751
8,14-bis(9,9-dimethylfluoren-2-yl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene
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10-[10-(9,9-dimethylfluoren-3-yl)-3-phenylanthracen-9-yl]-9,9-dimethylacridine
CID 59196351

Frequently Asked Questions

What is the IUPAC name of 9-(9,9-dimethylfluoren-2-yl)-20-phenylspiro[2,9,15-triazaheptacyclo[13.11.1.12,10.03,8.017,22.023,27.014,28]octacosa-1(26),3,5,7,10(28),11,13,17(22),18,20,23(27),24-dodecaene-16,1'-cyclopropane]?
The IUPAC name of 9-(9,9-dimethylfluoren-2-yl)-20-phenylspiro[2,9,15-triazaheptacyclo[13.11.1.12,10.03,8.017,22.023,27.014,28]octacosa-1(26),3,5,7,10(28),11,13,17(22),18,20,23(27),24-dodecaene-16,1'-cyclopropane] (CID 166769088) is 9-(9,9-dimethylfluoren-2-yl)-20-phenylspiro[2,9,15-triazaheptacyclo[13.11.1.12,10.03,8.017,22.023,27.014,28]octacosa-1(26),3,5,7,10(28),11,13,17(22),18,20,23(27),24-dodecaene-16,1'-cyclopropane].
What is the SMILES notation for 9-(9,9-dimethylfluoren-2-yl)-20-phenylspiro[2,9,15-triazaheptacyclo[13.11.1.12,10.03,8.017,22.023,27.014,28]octacosa-1(26),3,5,7,10(28),11,13,17(22),18,20,23(27),24-dodecaene-16,1'-cyclopropane]?
The canonical SMILES for 9-(9,9-dimethylfluoren-2-yl)-20-phenylspiro[2,9,15-triazaheptacyclo[13.11.1.12,10.03,8.017,22.023,27.014,28]octacosa-1(26),3,5,7,10(28),11,13,17(22),18,20,23(27),24-dodecaene-16,1'-cyclopropane] is CC1(C)c2ccccc2-c2ccc(N3c4ccccc4N4c5cccc6c5N(c5cccc3c54)C3(CC3)c3ccc(-c4ccccc4)cc3-6)cc21.
What is the InChIKey of 9-(9,9-dimethylfluoren-2-yl)-20-phenylspiro[2,9,15-triazaheptacyclo[13.11.1.12,10.03,8.017,22.023,27.014,28]octacosa-1(26),3,5,7,10(28),11,13,17(22),18,20,23(27),24-dodecaene-16,1'-cyclopropane]?
The InChIKey is HGJLVTVOCYRAHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H35N3/c1-47(2)37-16-7-6-14-33(37)34-24-23-32(29-39(34)47)49-40-17-8-9-18-41(40)50-42-19-10-15-35-36-28-31(30-12-4-3-5-13-30)22-25-38(36)48(26-27-48)51(45(35)42)44-21-11-20-43(49)46(44)50/h3-25,28-29H,26-27H2,1-2H3.
What are the key properties of 9-(9,9-dimethylfluoren-2-yl)-20-phenylspiro[2,9,15-triazaheptacyclo[13.11.1.12,10.03,8.017,22.023,27.014,28]octacosa-1(26),3,5,7,10(28),11,13,17(22),18,20,23(27),24-dodecaene-16,1'-cyclopropane]?
9-(9,9-dimethylfluoren-2-yl)-20-phenylspiro[2,9,15-triazaheptacyclo[13.11.1.12,10.03,8.017,22.023,27.014,28]octacosa-1(26),3,5,7,10(28),11,13,17(22),18,20,23(27),24-dodecaene-16,1'-cyclopropane] has a molecular weight of 653.83 g/mol, XLogP of 13.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(9,9-dimethylfluoren-2-yl)-20-phenylspiro[2,9,15-triazaheptacyclo[13.11.1.12,10.03,8.017,22.023,27.014,28]octacosa-1(26),3,5,7,10(28),11,13,17(22),18,20,23(27),24-dodecaene-16,1'-cyclopropane] is sourced from PubChem (CID 166769088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).