10,18-bis(11,11-dimethylbenzo[b]fluoren-10-yl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaene

C64H43N — CID 146376340

IUPAC10,18-bis(11,11-dimethylbenzo[b]fluoren-10-yl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaene
SMILESCC1(C)c2ccccc2-c2cc3ccccc3c(-c3c4ccccc4cc4c3c3cccc5c6c(-c7c8c(cc9ccccc79)-c7ccccc7C8(C)C)c7ccccc7cc6n4c35)c21
InChIInChI=1S/C64H43N/c1-63(2)50-30-15-13-26-44(50)48-32-36-18-5-11-24-42(36)58(60(48)63)56-40-22-9-7-20-38(40)34-52-54(56)46-28-17-29-47-55-53(65(52)62(46)47)35-39-21-8-10-23-41(39)57(55)59-43-25-12-6-19-37(43)33-49-45-27-14-16-31-51(45)64(3,4)61(49)59/h5-35H,1-4H3
InChIKeyUPXQTZNRAFLSKK-UHFFFAOYSA-N
MW826.06 g/mol
LogP17.40
Rot. Bonds2

About 10,18-bis(11,11-dimethylbenzo[b]fluoren-10-yl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaene

10,18-bis(11,11-dimethylbenzo[b]fluoren-10-yl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaene (PubChem CID 146376340) has the molecular formula C64H43N and a molecular weight of 826.06 g/mol. Its IUPAC name is 10,18-bis(11,11-dimethylbenzo[b]fluoren-10-yl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaene.

Molecular Properties

Compound Name10,18-bis(11,11-dimethylbenzo[b]fluoren-10-yl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaene
PubChem CID146376340
Molecular FormulaC64H43N
Molecular Weight826.06 g/mol
Exact Mass825.34
IUPAC Name10,18-bis(11,11-dimethylbenzo[b]fluoren-10-yl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaene
SMILESCC1(C)c2ccccc2-c2cc3ccccc3c(-c3c4ccccc4cc4c3c3cccc5c6c(-c7c8c(cc9ccccc79)-c7ccccc7C8(C)C)c7ccccc7cc6n4c35)c21
InChIInChI=1S/C64H43N/c1-63(2)50-30-15-13-26-44(50)48-32-36-18-5-11-24-42(36)58(60(48)63)56-40-22-9-7-20-38(40)34-52-54(56)46-28-17-29-47-55-53(65(52)62(46)47)35-39-21-8-10-23-41(39)57(55)59-43-25-12-6-19-37(43)33-49-45-27-14-16-31-51(45)64(3,4)61(49)59/h5-35H,1-4H3
InChIKeyUPXQTZNRAFLSKK-UHFFFAOYSA-N
XLogP17.40
TPSA4.41 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500826.06
LogP ≤ 517.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 10,18-bis(11,11-dimethylbenzo[b]fluoren-10-yl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaene with MolForge

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Related Compounds

3-(9,9-dimethylfluoren-2-yl)-12-azahexacyclo[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 146370145
12,12,28,28-tetramethyl-1-azanonacyclo[17.13.1.02,14.05,13.06,11.015,33.020,32.021,29.022,27]tritriaconta-2(14),3,5(13),6,8,10,15,17,19(33),20(32),21(29),22,24,26,30-pentadecaene
CID 146376227
10,18-di(phenanthren-1-yl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaene
CID 146376351
8,8-dimethylhexacyclo[15.7.1.02,7.09,25.010,15.019,24]pentacosa-1(25),2,4,6,9,11,13,15,17,19,21,23-dodecaene
CID 123897654
11,11,23,23-tetramethyl-1-azanonacyclo[17.13.1.02,14.04,12.05,10.015,33.020,32.022,30.024,29]tritriaconta-2,4(12),5,7,9,13,15(33),16,18,20,22(30),24,26,28,31-pentadecaene
CID 146376476
6-[8-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-6-yl)-10-(9,9-dimethylfluoren-1-yl)anthracen-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
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10,10,12,12-tetramethyl-11-(10-naphthalen-1-ylanthracen-9-yl)indeno[2,1-b]fluorene
CID 160577000
11,11-dimethyl-10-propan-2-ylbenzo[b]fluorene
CID 157467920
10,10,12,12-tetramethyl-11-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]indeno[2,1-b]fluorene
CID 161253003
6,6,13,13,23,23,30,30-octamethyl-1-azanonacyclo[18.14.1.02,15.05,14.07,12.016,35.021,34.022,31.024,29]pentatriaconta-2(15),3,5(14),7,9,11,16(35),17,19,21(34),22(31),24,26,28,32-pentadecaene-4,32-dicarbonitrile
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11,11,33-trimethyl-21,33-diazanonacyclo[19.10.1.113,16.02,14.04,12.05,10.015,20.022,27.028,32]tritriaconta-1(31),2,4(12),5,7,9,13,15,17,19,22,24,26,28(32),29-pentadecaene
CID 157173756
28,28-dimethyl-12-phenyl-1,12-diazanonacyclo[17.13.1.02,14.05,13.06,11.015,33.020,32.021,29.022,27]tritriaconta-2(14),3,5(13),6,8,10,15,17,19(33),20(32),21(29),22,24,26,30-pentadecaene
CID 146376237

Frequently Asked Questions

What is the IUPAC name of 10,18-bis(11,11-dimethylbenzo[b]fluoren-10-yl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaene?
The IUPAC name of 10,18-bis(11,11-dimethylbenzo[b]fluoren-10-yl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaene (CID 146376340) is 10,18-bis(11,11-dimethylbenzo[b]fluoren-10-yl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaene.
What is the SMILES notation for 10,18-bis(11,11-dimethylbenzo[b]fluoren-10-yl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaene?
The canonical SMILES for 10,18-bis(11,11-dimethylbenzo[b]fluoren-10-yl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaene is CC1(C)c2ccccc2-c2cc3ccccc3c(-c3c4ccccc4cc4c3c3cccc5c6c(-c7c8c(cc9ccccc79)-c7ccccc7C8(C)C)c7ccccc7cc6n4c35)c21.
What is the InChIKey of 10,18-bis(11,11-dimethylbenzo[b]fluoren-10-yl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaene?
The InChIKey is UPXQTZNRAFLSKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H43N/c1-63(2)50-30-15-13-26-44(50)48-32-36-18-5-11-24-42(36)58(60(48)63)56-40-22-9-7-20-38(40)34-52-54(56)46-28-17-29-47-55-53(65(52)62(46)47)35-39-21-8-10-23-41(39)57(55)59-43-25-12-6-19-37(43)33-49-45-27-14-16-31-51(45)64(3,4)61(49)59/h5-35H,1-4H3.
What are the key properties of 10,18-bis(11,11-dimethylbenzo[b]fluoren-10-yl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaene?
10,18-bis(11,11-dimethylbenzo[b]fluoren-10-yl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaene has a molecular weight of 826.06 g/mol, XLogP of 17.40, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10,18-bis(11,11-dimethylbenzo[b]fluoren-10-yl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaene is sourced from PubChem (CID 146376340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).