fluoranthene;15-fluoranthen-8-yl-30-methyl-15,30-diazaheptacyclo[21.7.0.02,7.08,16.09,14.017,22.024,29]triaconta-1(23),2,4,6,8(16),9,11,13,17,19,21,24,26,28-tetradecaene

C61H38N2 — CID 145241631

IUPACfluoranthene;15-fluoranthen-8-yl-30-methyl-15,30-diazaheptacyclo[21.7.0.02,7.08,16.09,14.017,22.024,29]triaconta-1(23),2,4,6,8(16),9,11,13,17,19,21,24,26,28-tetradecaene
SMILESCn1c2c(c3ccccc31)-c1ccccc1-c1c(c3ccccc3n1-c1ccc3c(c1)-c1cccc4cccc-3c14)-c1ccccc1-2.c1ccc2c(c1)-c1cccc3cccc-2c13
InChIInChI=1S/C45H28N2.C16H10/c1-46-39-22-8-6-18-36(39)42-32-15-3-5-17-35(32)45-43(31-14-2-4-16-34(31)44(42)46)37-19-7-9-23-40(37)47(45)28-24-25-29-30-20-10-12-27-13-11-21-33(41(27)30)38(29)26-28;1-2-8-13-12(7-1)14-9-3-5-11-6-4-10-15(13)16(11)14/h2-26H,1H3;1-10H/b42-32-,43-31-,44-34+,45-35+;
InChIKeyCYLOODAKGQOJHA-FQZCMRCTSA-N
MW798.99 g/mol
LogP16.39
Rot. Bonds1

About fluoranthene;15-fluoranthen-8-yl-30-methyl-15,30-diazaheptacyclo[21.7.0.02,7.08,16.09,14.017,22.024,29]triaconta-1(23),2,4,6,8(16),9,11,13,17,19,21,24,26,28-tetradecaene

fluoranthene;15-fluoranthen-8-yl-30-methyl-15,30-diazaheptacyclo[21.7.0.02,7.08,16.09,14.017,22.024,29]triaconta-1(23),2,4,6,8(16),9,11,13,17,19,21,24,26,28-tetradecaene (PubChem CID 145241631) has the molecular formula C61H38N2 and a molecular weight of 798.99 g/mol. Its IUPAC name is fluoranthene;15-fluoranthen-8-yl-30-methyl-15,30-diazaheptacyclo[21.7.0.02,7.08,16.09,14.017,22.024,29]triaconta-1(23),2,4,6,8(16),9,11,13,17,19,21,24,26,28-tetradecaene.

Molecular Properties

Compound Namefluoranthene;15-fluoranthen-8-yl-30-methyl-15,30-diazaheptacyclo[21.7.0.02,7.08,16.09,14.017,22.024,29]triaconta-1(23),2,4,6,8(16),9,11,13,17,19,21,24,26,28-tetradecaene
PubChem CID145241631
Molecular FormulaC61H38N2
Molecular Weight798.99 g/mol
Exact Mass798.30
IUPAC Namefluoranthene;15-fluoranthen-8-yl-30-methyl-15,30-diazaheptacyclo[21.7.0.02,7.08,16.09,14.017,22.024,29]triaconta-1(23),2,4,6,8(16),9,11,13,17,19,21,24,26,28-tetradecaene
SMILESCn1c2c(c3ccccc31)-c1ccccc1-c1c(c3ccccc3n1-c1ccc3c(c1)-c1cccc4cccc-3c14)-c1ccccc1-2.c1ccc2c(c1)-c1cccc3cccc-2c13
InChIInChI=1S/C45H28N2.C16H10/c1-46-39-22-8-6-18-36(39)42-32-15-3-5-17-35(32)45-43(31-14-2-4-16-34(31)44(42)46)37-19-7-9-23-40(37)47(45)28-24-25-29-30-20-10-12-27-13-11-21-33(41(27)30)38(29)26-28;1-2-8-13-12(7-1)14-9-3-5-11-6-4-10-15(13)16(11)14/h2-26H,1H3;1-10H/b42-32-,43-31-,44-34+,45-35+;
InChIKeyCYLOODAKGQOJHA-FQZCMRCTSA-N
XLogP16.39
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500798.99
LogP ≤ 516.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Analyze fluoranthene;15-fluoranthen-8-yl-30-methyl-15,30-diazaheptacyclo[21.7.0.02,7.08,16.09,14.017,22.024,29]triaconta-1(23),2,4,6,8(16),9,11,13,17,19,21,24,26,28-tetradecaene with MolForge

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Related Compounds

15,24-dinaphthalen-2-yl-15,24-diazaheptacyclo[21.7.0.02,7.08,16.09,14.017,22.025,30]triaconta-1(23),2,4,6,8(16),9,11,13,17,19,21,25,27,29-tetradecaene
CID 145241644
9-(4-methylphenyl)-9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3,5,7,11,13,15(19),16-nonaene
CID 177491803
9-(4-phenylphenyl)-9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3,5,7,11,13,15(19),16-nonaene
CID 129208210
15,30-dinaphthalen-2-yl-15,30-diazaheptacyclo[21.7.0.02,7.08,16.09,14.017,22.024,29]triaconta-1(23),2,4,6,8(16),9,11,13,17,19,21,24,26,28-tetradecaene;prop-1-ene
CID 145241548
15,30-bis(11,11-dimethylbenzo[b]fluoren-3-yl)-15,30-diazaheptacyclo[21.7.0.02,7.08,16.09,14.017,22.024,29]triaconta-1(23),2,4,6,8(16),9,11,13,17,19,21,24,26,28-tetradecaene
CID 145241546
10-(5-phenylbenzo[b]carbazol-2-yl)-10-azahexacyclo[13.7.1.02,14.03,11.04,9.019,23]tricosa-1(22),2(14),3(11),4,6,8,12,15,17,19(23),20-undecaene
CID 118565077
11-(4-fluoranthen-3-ylphenyl)-11-azahexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2(14),3,5,7,9,12,15,17,19(23),20-undecaene
CID 118580860
3-carbazol-9-yl-9-(6-carbazol-9-yltetraphenylen-2-yl)carbazole
CID 168811183
5-(4-phenylphenyl)-5-azaheptacyclo[19.7.1.02,14.04,12.06,11.015,20.025,29]nonacosa-1(28),2(14),3,6,8,10,12,15,17,19,21,23,25(29),26-tetradecaene
CID 155771619
12,27-di(carbazol-9-yl)-15,24-diphenyl-15,24-diazaheptacyclo[21.7.0.02,7.08,16.09,14.017,22.025,30]triaconta-1(23),2,4,6,8(16),9(14),10,12,17,19,21,25(30),26,28-tetradecaene
CID 145241488
8-(9-fluoranthen-8-ylcarbazol-3-yl)-11-phenylbenzo[a]carbazole
CID 130304370
7-(9-fluoranthen-2-ylcarbazol-3-yl)benzo[c]carbazole
CID 130295338

Frequently Asked Questions

What is the IUPAC name of fluoranthene;15-fluoranthen-8-yl-30-methyl-15,30-diazaheptacyclo[21.7.0.02,7.08,16.09,14.017,22.024,29]triaconta-1(23),2,4,6,8(16),9,11,13,17,19,21,24,26,28-tetradecaene?
The IUPAC name of fluoranthene;15-fluoranthen-8-yl-30-methyl-15,30-diazaheptacyclo[21.7.0.02,7.08,16.09,14.017,22.024,29]triaconta-1(23),2,4,6,8(16),9,11,13,17,19,21,24,26,28-tetradecaene (CID 145241631) is fluoranthene;15-fluoranthen-8-yl-30-methyl-15,30-diazaheptacyclo[21.7.0.02,7.08,16.09,14.017,22.024,29]triaconta-1(23),2,4,6,8(16),9,11,13,17,19,21,24,26,28-tetradecaene.
What is the SMILES notation for fluoranthene;15-fluoranthen-8-yl-30-methyl-15,30-diazaheptacyclo[21.7.0.02,7.08,16.09,14.017,22.024,29]triaconta-1(23),2,4,6,8(16),9,11,13,17,19,21,24,26,28-tetradecaene?
The canonical SMILES for fluoranthene;15-fluoranthen-8-yl-30-methyl-15,30-diazaheptacyclo[21.7.0.02,7.08,16.09,14.017,22.024,29]triaconta-1(23),2,4,6,8(16),9,11,13,17,19,21,24,26,28-tetradecaene is Cn1c2c(c3ccccc31)-c1ccccc1-c1c(c3ccccc3n1-c1ccc3c(c1)-c1cccc4cccc-3c14)-c1ccccc1-2.c1ccc2c(c1)-c1cccc3cccc-2c13.
What is the InChIKey of fluoranthene;15-fluoranthen-8-yl-30-methyl-15,30-diazaheptacyclo[21.7.0.02,7.08,16.09,14.017,22.024,29]triaconta-1(23),2,4,6,8(16),9,11,13,17,19,21,24,26,28-tetradecaene?
The InChIKey is CYLOODAKGQOJHA-FQZCMRCTSA-N. The full InChI is InChI=1S/C45H28N2.C16H10/c1-46-39-22-8-6-18-36(39)42-32-15-3-5-17-35(32)45-43(31-14-2-4-16-34(31)44(42)46)37-19-7-9-23-40(37)47(45)28-24-25-29-30-20-10-12-27-13-11-21-33(41(27)30)38(29)26-28;1-2-8-13-12(7-1)14-9-3-5-11-6-4-10-15(13)16(11)14/h2-26H,1H3;1-10H/b42-32-,43-31-,44-34+,45-35+;.
What are the key properties of fluoranthene;15-fluoranthen-8-yl-30-methyl-15,30-diazaheptacyclo[21.7.0.02,7.08,16.09,14.017,22.024,29]triaconta-1(23),2,4,6,8(16),9,11,13,17,19,21,24,26,28-tetradecaene?
fluoranthene;15-fluoranthen-8-yl-30-methyl-15,30-diazaheptacyclo[21.7.0.02,7.08,16.09,14.017,22.024,29]triaconta-1(23),2,4,6,8(16),9,11,13,17,19,21,24,26,28-tetradecaene has a molecular weight of 798.99 g/mol, XLogP of 16.39, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for fluoranthene;15-fluoranthen-8-yl-30-methyl-15,30-diazaheptacyclo[21.7.0.02,7.08,16.09,14.017,22.024,29]triaconta-1(23),2,4,6,8(16),9,11,13,17,19,21,24,26,28-tetradecaene is sourced from PubChem (CID 145241631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).