21-(9,9-dimethylfluoren-3-yl)-3,10,12-triazahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),2,4,6,8,10,13,15,17,19(23),20-undecaene

C35H23N3 — CID 126577808

IUPAC21-(9,9-dimethylfluoren-3-yl)-3,10,12-triazahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),2,4,6,8,10,13,15,17,19(23),20-undecaene
SMILESCC1(C)c2ccccc2-c2cc(-c3cc4c5ccccc5n5c6nc7ccccc7nc6c(c3)c45)ccc21
InChIInChI=1S/C35H23N3/c1-35(2)27-11-5-3-9-22(27)24-17-20(15-16-28(24)35)21-18-25-23-10-4-8-14-31(23)38-33(25)26(19-21)32-34(38)37-30-13-7-6-12-29(30)36-32/h3-19H,1-2H3
InChIKeyYPVBNRPEVICYHR-UHFFFAOYSA-N
MW485.59 g/mol
LogP8.75
Rot. Bonds1

About 21-(9,9-dimethylfluoren-3-yl)-3,10,12-triazahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),2,4,6,8,10,13,15,17,19(23),20-undecaene

21-(9,9-dimethylfluoren-3-yl)-3,10,12-triazahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),2,4,6,8,10,13,15,17,19(23),20-undecaene (PubChem CID 126577808) has the molecular formula C35H23N3 and a molecular weight of 485.59 g/mol. Its IUPAC name is 21-(9,9-dimethylfluoren-3-yl)-3,10,12-triazahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),2,4,6,8,10,13,15,17,19(23),20-undecaene.

Molecular Properties

Compound Name21-(9,9-dimethylfluoren-3-yl)-3,10,12-triazahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),2,4,6,8,10,13,15,17,19(23),20-undecaene
PubChem CID126577808
Molecular FormulaC35H23N3
Molecular Weight485.59 g/mol
Exact Mass485.19
IUPAC Name21-(9,9-dimethylfluoren-3-yl)-3,10,12-triazahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),2,4,6,8,10,13,15,17,19(23),20-undecaene
SMILESCC1(C)c2ccccc2-c2cc(-c3cc4c5ccccc5n5c6nc7ccccc7nc6c(c3)c45)ccc21
InChIInChI=1S/C35H23N3/c1-35(2)27-11-5-3-9-22(27)24-17-20(15-16-28(24)35)21-18-25-23-10-4-8-14-31(23)38-33(25)26(19-21)32-34(38)37-30-13-7-6-12-29(30)36-32/h3-19H,1-2H3
InChIKeyYPVBNRPEVICYHR-UHFFFAOYSA-N
XLogP8.75
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.59
LogP ≤ 58.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 21-(9,9-dimethylfluoren-3-yl)-3,10,12-triazahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),2,4,6,8,10,13,15,17,19(23),20-undecaene with MolForge

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Related Compounds

14-(9,9-dimethylfluoren-3-yl)-26-oxa-1,3,10-triazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.019,27.020,25]triaconta-2,4,6,8,10,12,14,16(30),17(29),18,20,22,24,27-tetradecaene
CID 129092449
13-(9,9-dimethylfluoren-3-yl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24-dodecaene
CID 122533773
21-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-3,10,12-triazahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),2,4,6,8,10,13,15,17,19(23),20-undecaene
CID 126577832
6,19-bis(9,9-dimethylfluoren-3-yl)-3,16-diazaoctacyclo[14.10.1.13,10.02,15.04,9.017,22.023,27.014,28]octacosa-1(26),2(15),4(9),5,7,10(28),11,13,17(22),18,20,23(27),24-tridecaene
CID 176726732
14-(9,9-dimethylfluoren-2-yl)-3,10,18-triazahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(25),2,4,6,8,11(16),12,14,17,19,21,23-dodecaene
CID 71230280
16-(9,9-dimethylfluoren-1-yl)-27-thia-3,10,12-triazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,28.021,26]triaconta-1(29),2,4,6,8,10,13(18),14,16,19(30),20(28),21,23,25-tetradecaene
CID 129092569
N,N-diphenyl-3-(3,10,12-triazahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),2,4,6,8,10,13,15,17,19(23),20-undecaen-21-yl)aniline
CID 126577865
14-(9-phenylcarbazol-3-yl)-1,3,10-triazaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12,14,16(27),17,19,21,23,25-tridecaene
CID 126577980
3-(9,9-dimethylfluoren-3-yl)-9-[4-(4-phenylphenyl)quinazolin-2-yl]carbazole
CID 142356903
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
14-(9-phenylcarbazol-3-yl)-1,18,25-triazaheptacyclo[14.10.1.02,11.03,8.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17,19,21,23,25-tridecaene
CID 126577968
7-phenyl-21-(9-phenylcarbazol-4-yl)-3,10,12-triazahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),2,4(9),5,7,10,13,15,17,19(23),20-undecaene
CID 126578035

Frequently Asked Questions

What is the IUPAC name of 21-(9,9-dimethylfluoren-3-yl)-3,10,12-triazahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),2,4,6,8,10,13,15,17,19(23),20-undecaene?
The IUPAC name of 21-(9,9-dimethylfluoren-3-yl)-3,10,12-triazahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),2,4,6,8,10,13,15,17,19(23),20-undecaene (CID 126577808) is 21-(9,9-dimethylfluoren-3-yl)-3,10,12-triazahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),2,4,6,8,10,13,15,17,19(23),20-undecaene.
What is the SMILES notation for 21-(9,9-dimethylfluoren-3-yl)-3,10,12-triazahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),2,4,6,8,10,13,15,17,19(23),20-undecaene?
The canonical SMILES for 21-(9,9-dimethylfluoren-3-yl)-3,10,12-triazahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),2,4,6,8,10,13,15,17,19(23),20-undecaene is CC1(C)c2ccccc2-c2cc(-c3cc4c5ccccc5n5c6nc7ccccc7nc6c(c3)c45)ccc21.
What is the InChIKey of 21-(9,9-dimethylfluoren-3-yl)-3,10,12-triazahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),2,4,6,8,10,13,15,17,19(23),20-undecaene?
The InChIKey is YPVBNRPEVICYHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H23N3/c1-35(2)27-11-5-3-9-22(27)24-17-20(15-16-28(24)35)21-18-25-23-10-4-8-14-31(23)38-33(25)26(19-21)32-34(38)37-30-13-7-6-12-29(30)36-32/h3-19H,1-2H3.
What are the key properties of 21-(9,9-dimethylfluoren-3-yl)-3,10,12-triazahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),2,4,6,8,10,13,15,17,19(23),20-undecaene?
21-(9,9-dimethylfluoren-3-yl)-3,10,12-triazahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),2,4,6,8,10,13,15,17,19(23),20-undecaene has a molecular weight of 485.59 g/mol, XLogP of 8.75, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 21-(9,9-dimethylfluoren-3-yl)-3,10,12-triazahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),2,4,6,8,10,13,15,17,19(23),20-undecaene is sourced from PubChem (CID 126577808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).