6-N,6-N,11-N,11-N-tetraphenyl-2,14-diazaheptacyclo[12.10.1.12,9.03,8.015,20.021,25.013,26]hexacosa-1(24),3(8),4,6,9(26),10,12,15(20),16,21(25),22-undecaene-6,11-diamine

C48H34N4 — CID 170075570

IUPAC6-N,6-N,11-N,11-N-tetraphenyl-2,14-diazaheptacyclo[12.10.1.12,9.03,8.015,20.021,25.013,26]hexacosa-1(24),3(8),4,6,9(26),10,12,15(20),16,21(25),22-undecaene-6,11-diamine
SMILESC1=Cc2c(c3cccc4c3n2c2cc(N(c3ccccc3)c3ccccc3)cc3c5cc(N(c6ccccc6)c6ccccc6)ccc5n4c32)CC1
InChIInChI=1S/C48H34N4/c1-5-16-33(17-6-1)49(34-18-7-2-8-19-34)37-28-29-44-41(30-37)42-31-38(50(35-20-9-3-10-21-35)36-22-11-4-12-23-36)32-46-48(42)51(44)45-27-15-25-40-39-24-13-14-26-43(39)52(46)47(40)45/h1-12,14-23,25-32H,13,24H2
InChIKeyPFCIYQVVHMRHCS-UHFFFAOYSA-N
MW666.83 g/mol
LogP12.99
Rot. Bonds6

About 6-N,6-N,11-N,11-N-tetraphenyl-2,14-diazaheptacyclo[12.10.1.12,9.03,8.015,20.021,25.013,26]hexacosa-1(24),3(8),4,6,9(26),10,12,15(20),16,21(25),22-undecaene-6,11-diamine

6-N,6-N,11-N,11-N-tetraphenyl-2,14-diazaheptacyclo[12.10.1.12,9.03,8.015,20.021,25.013,26]hexacosa-1(24),3(8),4,6,9(26),10,12,15(20),16,21(25),22-undecaene-6,11-diamine (PubChem CID 170075570) has the molecular formula C48H34N4 and a molecular weight of 666.83 g/mol. Its IUPAC name is 6-N,6-N,11-N,11-N-tetraphenyl-2,14-diazaheptacyclo[12.10.1.12,9.03,8.015,20.021,25.013,26]hexacosa-1(24),3(8),4,6,9(26),10,12,15(20),16,21(25),22-undecaene-6,11-diamine.

Molecular Properties

Compound Name6-N,6-N,11-N,11-N-tetraphenyl-2,14-diazaheptacyclo[12.10.1.12,9.03,8.015,20.021,25.013,26]hexacosa-1(24),3(8),4,6,9(26),10,12,15(20),16,21(25),22-undecaene-6,11-diamine
PubChem CID170075570
Molecular FormulaC48H34N4
Molecular Weight666.83 g/mol
Exact Mass666.28
IUPAC Name6-N,6-N,11-N,11-N-tetraphenyl-2,14-diazaheptacyclo[12.10.1.12,9.03,8.015,20.021,25.013,26]hexacosa-1(24),3(8),4,6,9(26),10,12,15(20),16,21(25),22-undecaene-6,11-diamine
SMILESC1=Cc2c(c3cccc4c3n2c2cc(N(c3ccccc3)c3ccccc3)cc3c5cc(N(c6ccccc6)c6ccccc6)ccc5n4c32)CC1
InChIInChI=1S/C48H34N4/c1-5-16-33(17-6-1)49(34-18-7-2-8-19-34)37-28-29-44-41(30-37)42-31-38(50(35-20-9-3-10-21-35)36-22-11-4-12-23-36)32-46-48(42)51(44)45-27-15-25-40-39-24-13-14-26-43(39)52(46)47(40)45/h1-12,14-23,25-32H,13,24H2
InChIKeyPFCIYQVVHMRHCS-UHFFFAOYSA-N
XLogP12.99
TPSA15.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.83
LogP ≤ 512.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 6-N,6-N,11-N,11-N-tetraphenyl-2,14-diazaheptacyclo[12.10.1.12,9.03,8.015,20.021,25.013,26]hexacosa-1(24),3(8),4,6,9(26),10,12,15(20),16,21(25),22-undecaene-6,11-diamine with MolForge

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Related Compounds

10-N,10-N,23-N,23-N-tetraphenyl-2,14-diazaheptacyclo[12.10.1.12,9.03,8.015,20.021,25.013,26]hexacosa-1(24),3,5,7,9,11,13(26),15,17,19,21(25),22-dodecaene-10,23-diamine
CID 168856514
N-(4-fluorophenyl)-N-[4-[4-(4-fluoro-N-(9-phenyl-5,6-dihydrocarbazol-3-yl)anilino)phenyl]phenyl]-9-phenylcarbazol-3-amine
CID 129301071
4-N-(9-cyclohexa-1,5-dien-1-yl-5,6-dihydrocarbazol-3-yl)-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 143216545
5-N,5-N,28-N,28-N-tetraphenyl-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18,20,22,25(30),26,28-pentadecaene-5,28-diamine
CID 176726932
N-dibenzo-p-dioxin-2-yl-9-phenyl-N-(9-phenyl-5,6-dihydrocarbazol-2-yl)carbazol-3-amine
CID 126636088
6-N,16-N-bis(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)-6-N,16-N-diphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,16-diamine
CID 166031794
6-N,6-N,21-N,21-N-tetraphenyl-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1,3(8),4,6,10,12,14,16(32),17(31),18(23),19,21,25,27,29-pentadecaene-6,21-diamine
CID 154591207
4,20-bis(N-phenylanilino)-8,16-diazaheptacyclo[14.9.2.02,7.08,26.09,14.017,22.023,27]heptacosa-1(26),2(7),3,5,9,11,13,17(22),18,20,23(27),24-dodecaen-15-one
CID 134169573
3-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)-N-phenyl-N-(4-phenylphenyl)aniline
CID 138747385
5-[3-carbazol-9-yl-5-(3,4-dihydrocarbazol-9-yl)phenoxy]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine
CID 145157990
9-(7-naphthalen-2-ylnaphthalen-2-yl)-N-phenyl-N-triphenylen-2-yl-5,6-dihydrocarbazol-2-amine
CID 135128967
N-(4-carbazol-9-ylphenyl)-N-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-4-(3,4,5,6-tetrahydrocarbazol-9-yl)aniline
CID 130371057

Frequently Asked Questions

What is the IUPAC name of 6-N,6-N,11-N,11-N-tetraphenyl-2,14-diazaheptacyclo[12.10.1.12,9.03,8.015,20.021,25.013,26]hexacosa-1(24),3(8),4,6,9(26),10,12,15(20),16,21(25),22-undecaene-6,11-diamine?
The IUPAC name of 6-N,6-N,11-N,11-N-tetraphenyl-2,14-diazaheptacyclo[12.10.1.12,9.03,8.015,20.021,25.013,26]hexacosa-1(24),3(8),4,6,9(26),10,12,15(20),16,21(25),22-undecaene-6,11-diamine (CID 170075570) is 6-N,6-N,11-N,11-N-tetraphenyl-2,14-diazaheptacyclo[12.10.1.12,9.03,8.015,20.021,25.013,26]hexacosa-1(24),3(8),4,6,9(26),10,12,15(20),16,21(25),22-undecaene-6,11-diamine.
What is the SMILES notation for 6-N,6-N,11-N,11-N-tetraphenyl-2,14-diazaheptacyclo[12.10.1.12,9.03,8.015,20.021,25.013,26]hexacosa-1(24),3(8),4,6,9(26),10,12,15(20),16,21(25),22-undecaene-6,11-diamine?
The canonical SMILES for 6-N,6-N,11-N,11-N-tetraphenyl-2,14-diazaheptacyclo[12.10.1.12,9.03,8.015,20.021,25.013,26]hexacosa-1(24),3(8),4,6,9(26),10,12,15(20),16,21(25),22-undecaene-6,11-diamine is C1=Cc2c(c3cccc4c3n2c2cc(N(c3ccccc3)c3ccccc3)cc3c5cc(N(c6ccccc6)c6ccccc6)ccc5n4c32)CC1.
What is the InChIKey of 6-N,6-N,11-N,11-N-tetraphenyl-2,14-diazaheptacyclo[12.10.1.12,9.03,8.015,20.021,25.013,26]hexacosa-1(24),3(8),4,6,9(26),10,12,15(20),16,21(25),22-undecaene-6,11-diamine?
The InChIKey is PFCIYQVVHMRHCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H34N4/c1-5-16-33(17-6-1)49(34-18-7-2-8-19-34)37-28-29-44-41(30-37)42-31-38(50(35-20-9-3-10-21-35)36-22-11-4-12-23-36)32-46-48(42)51(44)45-27-15-25-40-39-24-13-14-26-43(39)52(46)47(40)45/h1-12,14-23,25-32H,13,24H2.
What are the key properties of 6-N,6-N,11-N,11-N-tetraphenyl-2,14-diazaheptacyclo[12.10.1.12,9.03,8.015,20.021,25.013,26]hexacosa-1(24),3(8),4,6,9(26),10,12,15(20),16,21(25),22-undecaene-6,11-diamine?
6-N,6-N,11-N,11-N-tetraphenyl-2,14-diazaheptacyclo[12.10.1.12,9.03,8.015,20.021,25.013,26]hexacosa-1(24),3(8),4,6,9(26),10,12,15(20),16,21(25),22-undecaene-6,11-diamine has a molecular weight of 666.83 g/mol, XLogP of 12.99, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,6-N,11-N,11-N-tetraphenyl-2,14-diazaheptacyclo[12.10.1.12,9.03,8.015,20.021,25.013,26]hexacosa-1(24),3(8),4,6,9(26),10,12,15(20),16,21(25),22-undecaene-6,11-diamine is sourced from PubChem (CID 170075570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).