8,18-bis(9,9-dimethylfluoren-2-yl)-15,15-dimethyl-11-phenyl-11-azaheptacyclo[14.12.0.02,14.04,12.05,10.019,28.021,26]octacosa-1(16),2(14),3,5(10),6,8,12,17,19,21,23,25,27-tridecaene

C65H49N — CID 146227993

IUPAC8,18-bis(9,9-dimethylfluoren-2-yl)-15,15-dimethyl-11-phenyl-11-azaheptacyclo[14.12.0.02,14.04,12.05,10.019,28.021,26]octacosa-1(16),2(14),3,5(10),6,8,12,17,19,21,23,25,27-tridecaene
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4c5cc6c(cc5n(-c5ccccc5)c4c3)C(C)(C)c3cc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4cc5ccccc5cc4c3-6)cc21
InChIInChI=1S/C65H49N/c1-63(2)54-22-14-12-20-44(54)46-27-24-40(32-56(46)63)41-25-29-48-51-35-53-58(37-61(51)66(60(48)34-41)43-18-8-7-9-19-43)65(5,6)59-36-49(50-30-38-16-10-11-17-39(38)31-52(50)62(53)59)42-26-28-47-45-21-13-15-23-55(45)64(3,4)57(47)33-42/h7-37H,1-6H3
InChIKeyAMOMLWZUYSNFCT-UHFFFAOYSA-N
MW844.11 g/mol
LogP17.34
Rot. Bonds3

About 8,18-bis(9,9-dimethylfluoren-2-yl)-15,15-dimethyl-11-phenyl-11-azaheptacyclo[14.12.0.02,14.04,12.05,10.019,28.021,26]octacosa-1(16),2(14),3,5(10),6,8,12,17,19,21,23,25,27-tridecaene

8,18-bis(9,9-dimethylfluoren-2-yl)-15,15-dimethyl-11-phenyl-11-azaheptacyclo[14.12.0.02,14.04,12.05,10.019,28.021,26]octacosa-1(16),2(14),3,5(10),6,8,12,17,19,21,23,25,27-tridecaene (PubChem CID 146227993) has the molecular formula C65H49N and a molecular weight of 844.11 g/mol. Its IUPAC name is 8,18-bis(9,9-dimethylfluoren-2-yl)-15,15-dimethyl-11-phenyl-11-azaheptacyclo[14.12.0.02,14.04,12.05,10.019,28.021,26]octacosa-1(16),2(14),3,5(10),6,8,12,17,19,21,23,25,27-tridecaene.

Molecular Properties

Compound Name8,18-bis(9,9-dimethylfluoren-2-yl)-15,15-dimethyl-11-phenyl-11-azaheptacyclo[14.12.0.02,14.04,12.05,10.019,28.021,26]octacosa-1(16),2(14),3,5(10),6,8,12,17,19,21,23,25,27-tridecaene
PubChem CID146227993
Molecular FormulaC65H49N
Molecular Weight844.11 g/mol
Exact Mass843.39
IUPAC Name8,18-bis(9,9-dimethylfluoren-2-yl)-15,15-dimethyl-11-phenyl-11-azaheptacyclo[14.12.0.02,14.04,12.05,10.019,28.021,26]octacosa-1(16),2(14),3,5(10),6,8,12,17,19,21,23,25,27-tridecaene
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4c5cc6c(cc5n(-c5ccccc5)c4c3)C(C)(C)c3cc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4cc5ccccc5cc4c3-6)cc21
InChIInChI=1S/C65H49N/c1-63(2)54-22-14-12-20-44(54)46-27-24-40(32-56(46)63)41-25-29-48-51-35-53-58(37-61(51)66(60(48)34-41)43-18-8-7-9-19-43)65(5,6)59-36-49(50-30-38-16-10-11-17-39(38)31-52(50)62(53)59)42-26-28-47-45-21-13-15-23-55(45)64(3,4)57(47)33-42/h7-37H,1-6H3
InChIKeyAMOMLWZUYSNFCT-UHFFFAOYSA-N
XLogP17.34
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500844.11
LogP ≤ 517.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 8,18-bis(9,9-dimethylfluoren-2-yl)-15,15-dimethyl-11-phenyl-11-azaheptacyclo[14.12.0.02,14.04,12.05,10.019,28.021,26]octacosa-1(16),2(14),3,5(10),6,8,12,17,19,21,23,25,27-tridecaene with MolForge

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Related Compounds

15-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-11,11-dimethyl-25-phenyl-15,25-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2,4(12),5,7,9,13,17,19,21,23,26-dodecaene
CID 89492385
2-(4-bromophenyl)-7-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazole
CID 142754174
6-(9,9-dimethylfluoren-2-yl)-2-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-naphthalen-2-yl-2-(9-phenylcarbazol-3-yl)-6-triphenylen-2-ylcarbazole;6-phenanthren-9-yl-2-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 161421085
6-(9,9-dimethylfluoren-2-yl)-2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole
CID 145327666
5-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]-3-(9-phenylcarbazol-3-yl)benzo[b]carbazole
CID 146874125
6-(9,9-dimethylfluoren-2-yl)chrysene;2-(9-hexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),2(11),3,5,7,9,12,14,16,18,20,22,24-tridecaenyl)-9-phenylcarbazole;6-[5-phenyl-7-(3-phenylphenyl)naphthalen-2-yl]chrysene
CID 159572251
2-[2-(9,9-dimethylfluoren-2-yl)phenyl]-9-naphthalen-2-ylcarbazole
CID 129312240
15-(9,9-dimethylfluoren-2-yl)-10-phenyl-10-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 90310203
2-[9,9-dimethyl-2-(9-phenylcarbazol-3-yl)fluoren-4-yl]-9-phenylcarbazole
CID 157250025
6-[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]chrysene;9-(9,9-dimethylfluoren-2-yl)hexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),2(11),3,5,7,9,12,14,16,18,20,22,24-tridecaene;6-(3,5-dinaphthalen-2-ylphenyl)chrysene;2-(9-hexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),2(11),3,5,7,9,12,14,16,18,20,22,24-tridecaenyl)-9-phenylcarbazole;2-[4-(9-hexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),2(11),3,5,7,9,12,14,16,18,20,22,24-tridecaenyl)phenyl]-9-phenylcarbazole;9-naphthalen-2-ylhexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),2(11),3,5,7,9,12,14,16,18,20,22,24-tridecaene;6-(7-phenylnaphthalen-2-yl)chrysene;6-(3-phenylphenyl)chrysene;21-(3-phenylphenyl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;6-[5-phenyl-7-(3-phenylphenyl)naphthalen-2-yl]chrysene
CID 161201594
2-[3-(9,9-dimethylfluoren-2-yl)-5-(3-phenylcarbazol-9-yl)phenyl]-9-phenylcarbazole
CID 122492205
7,7-dimethyl-5-phenyl-2-(4-phenylnaphthalen-1-yl)indeno[2,1-b]carbazole
CID 170395420

Frequently Asked Questions

What is the IUPAC name of 8,18-bis(9,9-dimethylfluoren-2-yl)-15,15-dimethyl-11-phenyl-11-azaheptacyclo[14.12.0.02,14.04,12.05,10.019,28.021,26]octacosa-1(16),2(14),3,5(10),6,8,12,17,19,21,23,25,27-tridecaene?
The IUPAC name of 8,18-bis(9,9-dimethylfluoren-2-yl)-15,15-dimethyl-11-phenyl-11-azaheptacyclo[14.12.0.02,14.04,12.05,10.019,28.021,26]octacosa-1(16),2(14),3,5(10),6,8,12,17,19,21,23,25,27-tridecaene (CID 146227993) is 8,18-bis(9,9-dimethylfluoren-2-yl)-15,15-dimethyl-11-phenyl-11-azaheptacyclo[14.12.0.02,14.04,12.05,10.019,28.021,26]octacosa-1(16),2(14),3,5(10),6,8,12,17,19,21,23,25,27-tridecaene.
What is the SMILES notation for 8,18-bis(9,9-dimethylfluoren-2-yl)-15,15-dimethyl-11-phenyl-11-azaheptacyclo[14.12.0.02,14.04,12.05,10.019,28.021,26]octacosa-1(16),2(14),3,5(10),6,8,12,17,19,21,23,25,27-tridecaene?
The canonical SMILES for 8,18-bis(9,9-dimethylfluoren-2-yl)-15,15-dimethyl-11-phenyl-11-azaheptacyclo[14.12.0.02,14.04,12.05,10.019,28.021,26]octacosa-1(16),2(14),3,5(10),6,8,12,17,19,21,23,25,27-tridecaene is CC1(C)c2ccccc2-c2ccc(-c3ccc4c5cc6c(cc5n(-c5ccccc5)c4c3)C(C)(C)c3cc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4cc5ccccc5cc4c3-6)cc21.
What is the InChIKey of 8,18-bis(9,9-dimethylfluoren-2-yl)-15,15-dimethyl-11-phenyl-11-azaheptacyclo[14.12.0.02,14.04,12.05,10.019,28.021,26]octacosa-1(16),2(14),3,5(10),6,8,12,17,19,21,23,25,27-tridecaene?
The InChIKey is AMOMLWZUYSNFCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H49N/c1-63(2)54-22-14-12-20-44(54)46-27-24-40(32-56(46)63)41-25-29-48-51-35-53-58(37-61(51)66(60(48)34-41)43-18-8-7-9-19-43)65(5,6)59-36-49(50-30-38-16-10-11-17-39(38)31-52(50)62(53)59)42-26-28-47-45-21-13-15-23-55(45)64(3,4)57(47)33-42/h7-37H,1-6H3.
What are the key properties of 8,18-bis(9,9-dimethylfluoren-2-yl)-15,15-dimethyl-11-phenyl-11-azaheptacyclo[14.12.0.02,14.04,12.05,10.019,28.021,26]octacosa-1(16),2(14),3,5(10),6,8,12,17,19,21,23,25,27-tridecaene?
8,18-bis(9,9-dimethylfluoren-2-yl)-15,15-dimethyl-11-phenyl-11-azaheptacyclo[14.12.0.02,14.04,12.05,10.019,28.021,26]octacosa-1(16),2(14),3,5(10),6,8,12,17,19,21,23,25,27-tridecaene has a molecular weight of 844.11 g/mol, XLogP of 17.34, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8,18-bis(9,9-dimethylfluoren-2-yl)-15,15-dimethyl-11-phenyl-11-azaheptacyclo[14.12.0.02,14.04,12.05,10.019,28.021,26]octacosa-1(16),2(14),3,5(10),6,8,12,17,19,21,23,25,27-tridecaene is sourced from PubChem (CID 146227993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).