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

C54H31N — CID 146376351

IUPAC10,18-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
SMILESc1ccc2c(-c3cccc4c3ccc3ccccc34)c3c4cccc5c6c(-c7cccc8c7ccc7ccccc78)c7ccccc7cc6n(c3cc2c1)c45
InChIInChI=1S/C54H31N/c1-5-16-36-32(12-1)26-28-42-40(36)20-9-22-44(42)50-38-18-7-3-14-34(38)30-48-52(50)46-24-11-25-47-53-49(55(48)54(46)47)31-35-15-4-8-19-39(35)51(53)45-23-10-21-41-37-17-6-2-13-33(37)27-29-43(41)45/h1-31H
InChIKeyXPERUJDFAGSGNV-UHFFFAOYSA-N
MW693.85 g/mol
LogP15.09
Rot. Bonds2

About 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

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 (PubChem CID 146376351) has the molecular formula C54H31N and a molecular weight of 693.85 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name10,18-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
PubChem CID146376351
Molecular FormulaC54H31N
Molecular Weight693.85 g/mol
Exact Mass693.25
IUPAC Name10,18-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
SMILESc1ccc2c(-c3cccc4c3ccc3ccccc34)c3c4cccc5c6c(-c7cccc8c7ccc7ccccc78)c7ccccc7cc6n(c3cc2c1)c45
InChIInChI=1S/C54H31N/c1-5-16-36-32(12-1)26-28-42-40(36)20-9-22-44(42)50-38-18-7-3-14-34(38)30-48-52(50)46-24-11-25-47-53-49(55(48)54(46)47)31-35-15-4-8-19-39(35)51(53)45-23-10-21-41-37-17-6-2-13-33(37)27-29-43(41)45/h1-31H
InChIKeyXPERUJDFAGSGNV-UHFFFAOYSA-N
XLogP15.09
TPSA4.41 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500693.85
LogP ≤ 515.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
10,18-bis(2,6-dimethyl-4-phenylphenyl)-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 146375932
17,24-diazadecacyclo[22.10.1.16,10.02,23.03,20.05,18.011,16.025,30.031,35.017,36]hexatriaconta-1(34),2(23),3,5(18),6,8,10(36),11,13,15,19,21,25,27,29,31(35),32-heptadecaene
CID 176726685
10-N,10-N,18-N,18-N-tetraphenyl-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-diamine
CID 146526978
9-naphthalen-1-yl-10-(10-phenanthren-9-ylanthracen-9-yl)anthracene
CID 140825341
octacyclo[16.16.0.02,15.04,13.07,12.019,32.022,31.023,28]tetratriaconta-1(18),2,4(13),5,7,9,11,14,16,19(32),20,22(31),23,25,27,29,33-heptadecaene
CID 173096286
heptacyclo[16.12.0.03,16.04,13.07,12.019,28.022,27]triaconta-1,3(16),4(13),5,7,9,11,14,17,19(28),20,22,24,26,29-pentadecaene
CID 6431039
10,18-bis(3,6-ditert-butylcarbazol-9-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 146376598
1-azapentadecacyclo[32.28.1.02,29.04,27.06,25.07,12.013,18.019,24.030,63.035,62.037,60.039,58.040,45.046,51.052,57]trihexaconta-2(29),3,5,7,9,11,13,15,17,19,21,23,25,27,30(63),31,33,35(62),36,38,40,42,44,46,48,50,52,54,56,58,60-hentriacontaene
CID 170211005
15,26-dinaphthalen-1-ylhexacyclo[12.12.0.03,12.04,9.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16,18,20,22,24-tridecaene
CID 22900021
9-naphthalen-1-ylphenanthrene
CID 20606742
14-phenanthren-2-yl-14,23-diazanonacyclo[21.10.1.02,22.03,15.04,13.06,11.016,21.024,29.030,34]tetratriaconta-1(33),2(22),3(15),4,6,8,10,12,16,18,20,24,26,28,30(34),31-hexadecaene
CID 163792282

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc2c(-c3cccc4c3ccc3ccccc34)c3c4cccc5c6c(-c7cccc8c7ccc7ccccc78)c7ccccc7cc6n(c3cc2c1)c45.
What is the InChIKey of 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?
The InChIKey is XPERUJDFAGSGNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H31N/c1-5-16-36-32(12-1)26-28-42-40(36)20-9-22-44(42)50-38-18-7-3-14-34(38)30-48-52(50)46-24-11-25-47-53-49(55(48)54(46)47)31-35-15-4-8-19-39(35)51(53)45-23-10-21-41-37-17-6-2-13-33(37)27-29-43(41)45/h1-31H.
What are the key properties of 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?
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 has a molecular weight of 693.85 g/mol, XLogP of 15.09, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 146376351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).