N,N,3,15-tetraphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaen-8-amine

C50H33N — CID 152773378

IUPACN,N,3,15-tetraphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaen-8-amine
SMILESC1=CC2=CC=CC3=c4c(c(-c5ccccc5)c5c(c4-c4ccccc4)C4=CC=C(N(c6ccccc6)c6ccccc6)C6=CC=CC=5C64)C(=C1)C23
InChIInChI=1S/C50H33N/c1-5-16-33(17-6-1)44-47-38-27-13-20-32-21-14-28-39(43(32)38)48(47)45(34-18-7-2-8-19-34)50-41-30-31-42(37-26-15-29-40(46(37)41)49(44)50)51(35-22-9-3-10-23-35)36-24-11-4-12-25-36/h1-31,43,46H
InChIKeyAUFDZFVQWPKLIR-UHFFFAOYSA-N
MW647.82 g/mol
LogP10.65
Rot. Bonds5

About N,N,3,15-tetraphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaen-8-amine

N,N,3,15-tetraphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaen-8-amine (PubChem CID 152773378) has the molecular formula C50H33N and a molecular weight of 647.82 g/mol. Its IUPAC name is N,N,3,15-tetraphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaen-8-amine.

Molecular Properties

Compound NameN,N,3,15-tetraphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaen-8-amine
PubChem CID152773378
Molecular FormulaC50H33N
Molecular Weight647.82 g/mol
Exact Mass647.26
IUPAC NameN,N,3,15-tetraphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaen-8-amine
SMILESC1=CC2=CC=CC3=c4c(c(-c5ccccc5)c5c(c4-c4ccccc4)C4=CC=C(N(c6ccccc6)c6ccccc6)C6=CC=CC=5C64)C(=C1)C23
InChIInChI=1S/C50H33N/c1-5-16-33(17-6-1)44-47-38-27-13-20-32-21-14-28-39(43(32)38)48(47)45(34-18-7-2-8-19-34)50-41-30-31-42(37-26-15-29-40(46(37)41)49(44)50)51(35-22-9-3-10-23-35)36-24-11-4-12-25-36/h1-31,43,46H
InChIKeyAUFDZFVQWPKLIR-UHFFFAOYSA-N
XLogP10.65
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500647.82
LogP ≤ 510.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N,N,3,15-tetraphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaen-8-amine with MolForge

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Related Compounds

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CID 122448830
1-N,9-N-dimethyl-1-N,9-N-diphenyl-9bH-phenalene-1,9-diamine
CID 162283619
9,10-dinaphthalen-1-ylanthracene;1-N,6-N-diphenyl-1-N,6-N-bis(4-trimethylsilylphenyl)-3,10c-dihydropyrene-1,6-diamine;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 159407303
tris(1,1'-biphenyl);N,N-diphenylaniline
CID 175290151
1-N-phenyl-1-N-[4-(10-phenylanthracen-9-yl)phenyl]-4-N,4-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 59221806
1-N,6-N-dinaphthalen-2-yl-1-N,6-N-diphenyl-10b,10c-dihydropyrene-1,6-diamine
CID 166506024
N-[4-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]phenyl]-N-phenyl-10b,10c-dihydropyren-4-amine;N-naphthalen-2-yl-N-[4-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]phenyl]naphthalen-2-amine;N-[4-[4-(4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine;N-(4-phenylphenyl)-N-[4-[4-[4-(3-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]anilino]phenyl]phenyl]naphthalen-1-amine;N-(4-phenylphenyl)-N-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]naphthalen-1-amine
CID 159891106
4-[(E)-2-[9,10-diphenyl-6-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenanthren-3-yl]ethenyl]-N,N-diphenylaniline
CID 88888011
N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]-6-(9-phenylcarbazol-3-yl)-4a,5-dihydronaphthalen-1-amine
CID 89233993
azane;N,N-diphenylaniline;methane
CID 174725062
N,N-diphenyl-4-[2-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]ethenyl]aniline
CID 76823027
1-N,1-N,4-N-triphenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 59738711

Frequently Asked Questions

What is the IUPAC name of N,N,3,15-tetraphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaen-8-amine?
The IUPAC name of N,N,3,15-tetraphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaen-8-amine (CID 152773378) is N,N,3,15-tetraphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaen-8-amine.
What is the SMILES notation for N,N,3,15-tetraphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaen-8-amine?
The canonical SMILES for N,N,3,15-tetraphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaen-8-amine is C1=CC2=CC=CC3=c4c(c(-c5ccccc5)c5c(c4-c4ccccc4)C4=CC=C(N(c6ccccc6)c6ccccc6)C6=CC=CC=5C64)C(=C1)C23.
What is the InChIKey of N,N,3,15-tetraphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaen-8-amine?
The InChIKey is AUFDZFVQWPKLIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H33N/c1-5-16-33(17-6-1)44-47-38-27-13-20-32-21-14-28-39(43(32)38)48(47)45(34-18-7-2-8-19-34)50-41-30-31-42(37-26-15-29-40(46(37)41)49(44)50)51(35-22-9-3-10-23-35)36-24-11-4-12-25-36/h1-31,43,46H.
What are the key properties of N,N,3,15-tetraphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaen-8-amine?
N,N,3,15-tetraphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaen-8-amine has a molecular weight of 647.82 g/mol, XLogP of 10.65, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,3,15-tetraphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaen-8-amine is sourced from PubChem (CID 152773378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).