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

C50H29N — CID 129299015

IUPAC13-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
SMILESc1ccc(-n2c3ccccc3c3c4c5ccccc5c5ccccc5c4c4ccc(-c5cc6c7c(cccc7c5)-c5ccccc5-6)cc4c32)cc1
InChIInChI=1S/C50H29N/c1-2-14-33(15-3-1)51-45-24-11-10-22-42(45)49-48-40-21-9-7-17-35(40)34-16-6-8-20-39(34)47(48)41-26-25-30(28-44(41)50(49)51)32-27-31-13-12-23-38-36-18-4-5-19-37(36)43(29-32)46(31)38/h1-29H
InChIKeySJKYQRHYDMOLFC-UHFFFAOYSA-N
MW643.79 g/mol
LogP13.86
Rot. Bonds2

About 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

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 (PubChem CID 129299015) has the molecular formula C50H29N and a molecular weight of 643.79 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name13-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
PubChem CID129299015
Molecular FormulaC50H29N
Molecular Weight643.79 g/mol
Exact Mass643.23
IUPAC Name13-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
SMILESc1ccc(-n2c3ccccc3c3c4c5ccccc5c5ccccc5c4c4ccc(-c5cc6c7c(cccc7c5)-c5ccccc5-6)cc4c32)cc1
InChIInChI=1S/C50H29N/c1-2-14-33(15-3-1)51-45-24-11-10-22-42(45)49-48-40-21-9-7-17-35(40)34-16-6-8-20-39(34)47(48)41-26-25-30(28-44(41)50(49)51)32-27-31-13-12-23-38-36-18-4-5-19-37(36)43(29-32)46(31)38/h1-29H
InChIKeySJKYQRHYDMOLFC-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 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 with MolForge

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Related Compounds

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
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
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
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
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
9-(3-fluoranthen-2-ylphenyl)-3,6-diphenylcarbazole
CID 130294968
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
6-fluoranthen-2-yl-12-phenyl-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
CID 130295347
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
11-phenyl-8-[9-[4-[3-[2-[9-[4-[2-[9-(9-phenylcarbazol-2-yl)benzo[a]carbazol-11-yl]phenyl]phenyl]fluoranthen-2-yl]fluoranthen-8-yl]phenyl]phenyl]carbazol-2-yl]benzo[a]carbazole
CID 134535319
2-[7-(4-fluoranthen-2-ylphenyl)benzo[c]carbazol-10-yl]-5-phenylbenzo[b]carbazole
CID 130295051

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-n2c3ccccc3c3c4c5ccccc5c5ccccc5c4c4ccc(-c5cc6c7c(cccc7c5)-c5ccccc5-6)cc4c32)cc1.
What is the InChIKey of 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?
The InChIKey is SJKYQRHYDMOLFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H29N/c1-2-14-33(15-3-1)51-45-24-11-10-22-42(45)49-48-40-21-9-7-17-35(40)34-16-6-8-20-39(34)47(48)41-26-25-30(28-44(41)50(49)51)32-27-31-13-12-23-38-36-18-4-5-19-37(36)43(29-32)46(31)38/h1-29H.
What are the key properties of 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?
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 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 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 is sourced from PubChem (CID 129299015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).