9-(3-fluoranthen-2-ylphenyl)-9-azaheptacyclo[15.12.0.02,10.03,8.011,16.018,23.024,29]nonacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24,26,28-tetradecaene

C50H29N — CID 129299028

IUPAC9-(3-fluoranthen-2-ylphenyl)-9-azaheptacyclo[15.12.0.02,10.03,8.011,16.018,23.024,29]nonacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24,26,28-tetradecaene
SMILESc1cc(-c2cc3c4c(cccc4c2)-c2ccccc2-3)cc(-n2c3ccccc3c3c4c5ccccc5c5ccccc5c4c4ccccc4c32)c1
InChIInChI=1S/C50H29N/c1-2-19-37-36(18-1)38-25-12-14-31-27-32(29-44(37)46(31)38)30-13-11-15-33(28-30)51-45-26-10-9-24-43(45)49-48-40-21-6-4-17-35(40)34-16-3-5-20-39(34)47(48)41-22-7-8-23-42(41)50(49)51/h1-29H
InChIKeyHCBJMLIZEZHYCX-UHFFFAOYSA-N
MW643.79 g/mol
LogP13.86
Rot. Bonds2

About 9-(3-fluoranthen-2-ylphenyl)-9-azaheptacyclo[15.12.0.02,10.03,8.011,16.018,23.024,29]nonacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24,26,28-tetradecaene

9-(3-fluoranthen-2-ylphenyl)-9-azaheptacyclo[15.12.0.02,10.03,8.011,16.018,23.024,29]nonacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24,26,28-tetradecaene (PubChem CID 129299028) has the molecular formula C50H29N and a molecular weight of 643.79 g/mol. Its IUPAC name is 9-(3-fluoranthen-2-ylphenyl)-9-azaheptacyclo[15.12.0.02,10.03,8.011,16.018,23.024,29]nonacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24,26,28-tetradecaene.

Molecular Properties

Compound Name9-(3-fluoranthen-2-ylphenyl)-9-azaheptacyclo[15.12.0.02,10.03,8.011,16.018,23.024,29]nonacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24,26,28-tetradecaene
PubChem CID129299028
Molecular FormulaC50H29N
Molecular Weight643.79 g/mol
Exact Mass643.23
IUPAC Name9-(3-fluoranthen-2-ylphenyl)-9-azaheptacyclo[15.12.0.02,10.03,8.011,16.018,23.024,29]nonacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24,26,28-tetradecaene
SMILESc1cc(-c2cc3c4c(cccc4c2)-c2ccccc2-3)cc(-n2c3ccccc3c3c4c5ccccc5c5ccccc5c4c4ccccc4c32)c1
InChIInChI=1S/C50H29N/c1-2-19-37-36(18-1)38-25-12-14-31-27-32(29-44(37)46(31)38)30-13-11-15-33(28-30)51-45-26-10-9-24-43(45)49-48-40-21-6-4-17-35(40)34-16-3-5-20-39(34)47(48)41-22-7-8-23-42(41)50(49)51/h1-29H
InChIKeyHCBJMLIZEZHYCX-UHFFFAOYSA-N
XLogP13.86
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500643.79
LogP ≤ 513.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 9-(3-fluoranthen-2-ylphenyl)-9-azaheptacyclo[15.12.0.02,10.03,8.011,16.018,23.024,29]nonacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24,26,28-tetradecaene with MolForge

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Related Compounds

21-(3-fluoranthen-2-ylphenyl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene
CID 130294987
13-fluoranthen-2-yl-9-phenyl-9-azaheptacyclo[15.12.0.02,10.03,8.011,16.018,23.024,29]nonacosa-1(17),2(10),3,5,7,11(16),12,14,18,20,22,24,26,28-tetradecaene
CID 129299015
21-(6-fluoranthen-2-ylnaphthalen-2-yl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene
CID 130295148
9-(3-naphthalen-1-ylphenyl)-9-azaheptacyclo[15.12.0.02,10.03,8.011,16.018,23.024,29]nonacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24,26,28-tetradecaene
CID 129299053
9-fluoranthen-3-yl-9-azaheptacyclo[15.12.0.02,10.03,8.011,16.018,23.024,29]nonacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24,26,28-tetradecaene;9-(3-fluoranthen-8-ylphenyl)-9-azaheptacyclo[15.12.0.02,10.03,8.011,16.018,23.024,29]nonacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24,26,28-tetradecaene;9-(4-fluoranthen-8-ylphenyl)-9-azaheptacyclo[15.12.0.02,10.03,8.011,16.018,23.024,29]nonacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24,26,28-tetradecaene
CID 159499237
8-[11-(3-fluoranthen-2-ylphenyl)benzo[a]carbazol-8-yl]-11-phenylbenzo[a]carbazole
CID 130294967
2-[3-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]fluoranthene;21-(3-fluoranthen-2-ylphenyl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene;3-[9-(3-fluoranthen-2-ylphenyl)carbazol-2-yl]-9-phenylcarbazole;3-(3-fluoranthen-2-ylphenyl)-9-phenylcarbazole
CID 157182257
5-[9-(3-fluoranthen-2-ylphenyl)carbazol-3-yl]benzo[b]carbazole
CID 130295328
9-(3-fluoranthen-2-ylphenyl)-3,6-diphenylcarbazole
CID 130294968
17-(3,5-diphenylphenyl)-17-azaoctacyclo[18.10.1.02,18.03,16.04,9.010,15.021,26.027,31]hentriaconta-1(31),2(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-pentadecaene
CID 134398475
9-(3-fluoranthen-2-ylphenyl)-2-[9-[9-[9-(3-fluoranthen-2-ylphenyl)carbazol-3-yl]carbazol-3-yl]carbazol-3-yl]-6-(3-phenylcarbazol-9-yl)carbazole
CID 163849353
27-[3-(2-phenylphenyl)phenyl]-27-azaheptacyclo[12.11.1.13,25.02,7.08,13.018,26.019,24]heptacosa-1(25),2(7),3,5,8,10,12,14,16,18(26),19,21,23-tridecaene
CID 146334640

Frequently Asked Questions

What is the IUPAC name of 9-(3-fluoranthen-2-ylphenyl)-9-azaheptacyclo[15.12.0.02,10.03,8.011,16.018,23.024,29]nonacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24,26,28-tetradecaene?
The IUPAC name of 9-(3-fluoranthen-2-ylphenyl)-9-azaheptacyclo[15.12.0.02,10.03,8.011,16.018,23.024,29]nonacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24,26,28-tetradecaene (CID 129299028) is 9-(3-fluoranthen-2-ylphenyl)-9-azaheptacyclo[15.12.0.02,10.03,8.011,16.018,23.024,29]nonacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24,26,28-tetradecaene.
What is the SMILES notation for 9-(3-fluoranthen-2-ylphenyl)-9-azaheptacyclo[15.12.0.02,10.03,8.011,16.018,23.024,29]nonacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24,26,28-tetradecaene?
The canonical SMILES for 9-(3-fluoranthen-2-ylphenyl)-9-azaheptacyclo[15.12.0.02,10.03,8.011,16.018,23.024,29]nonacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24,26,28-tetradecaene is c1cc(-c2cc3c4c(cccc4c2)-c2ccccc2-3)cc(-n2c3ccccc3c3c4c5ccccc5c5ccccc5c4c4ccccc4c32)c1.
What is the InChIKey of 9-(3-fluoranthen-2-ylphenyl)-9-azaheptacyclo[15.12.0.02,10.03,8.011,16.018,23.024,29]nonacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24,26,28-tetradecaene?
The InChIKey is HCBJMLIZEZHYCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H29N/c1-2-19-37-36(18-1)38-25-12-14-31-27-32(29-44(37)46(31)38)30-13-11-15-33(28-30)51-45-26-10-9-24-43(45)49-48-40-21-6-4-17-35(40)34-16-3-5-20-39(34)47(48)41-22-7-8-23-42(41)50(49)51/h1-29H.
What are the key properties of 9-(3-fluoranthen-2-ylphenyl)-9-azaheptacyclo[15.12.0.02,10.03,8.011,16.018,23.024,29]nonacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24,26,28-tetradecaene?
9-(3-fluoranthen-2-ylphenyl)-9-azaheptacyclo[15.12.0.02,10.03,8.011,16.018,23.024,29]nonacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24,26,28-tetradecaene has a molecular weight of 643.79 g/mol, XLogP of 13.86, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-fluoranthen-2-ylphenyl)-9-azaheptacyclo[15.12.0.02,10.03,8.011,16.018,23.024,29]nonacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24,26,28-tetradecaene is sourced from PubChem (CID 129299028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).